UCSF

ZINC37259726

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 14 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) 2.71 7.18 -44.51 2 2 1 40 195.33 5
Hi High (pH 8-9.5) 2.71 5.98 -4.88 1 2 0 36 194.322 5

Activity (Go SEA)

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