UCSF

ZINC36745750

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 Yes

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) -0.48 -5.3 -21.19 3 7 0 119 299.761 5
Hi High (pH 8-9.5) -0.48 -5.16 -49.39 2 7 -1 121 298.753 5

Activity (Go SEA)

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