UCSF

ZINC00161054

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

CAS Number: 1621-55-2

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 5.13 -7.44 1 3 0 47 240.258 1
Hi High (pH 8-9.5) 2.27 6.49 -57.88 0 3 -1 49 239.25 1
Hi High (pH 8-9.5) 2.27 5.75 -54.9 0 3 -1 49 239.25 1

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ALD2_SPOSA; CCR1_ARATH; CCR2_ARATH; DFRA_ANTMA; DFRA_ARATH; DFRA_CALCH; DFRA_DIACA; DFRA_GERHY; DFRA_HORVU; DFRA_MAIZE; DFRA_MALDO; DFRA_MEDSA; DFRA_PETHY; DFRA_PYRCO; DFRA_SOLLC; DFRA_SYNY3; DFRA_VITVI; FL3H_ARATH; FL3H_CALCH; FL3H_DIACA; FL3H_HORVU; FL3 ChEBI

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )