UCSF

ZINC42772827

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 3.11 7.69 -39.33 2 3 1 28 285.839 7
Hi High (pH 8-9.5) 3.11 5.21 -3.39 1 3 0 27 284.831 7

Activity (Go SEA)

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