UCSF

ZINC42409275

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 13 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) -0.32 0.61 -39.5 3 3 1 40 187.307 5
Mid Mid (pH 6-8) -0.32 2.82 -114.25 4 3 2 41 188.315 5

Activity (Go SEA)

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