UCSF

ZINC37042447

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) -0.59 2.66 -87.58 5 4 2 61 213.325 3
Hi High (pH 8-9.5) -0.59 2.32 -37.72 4 4 1 60 212.317 3

Activity (Go SEA)

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