UCSF

ZINC42454461

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 0.28 6.85 -48.99 1 4 1 49 212.317 7
Mid Mid (pH 6-8) 0.28 4.81 -11.2 0 4 0 47 211.309 7

Activity (Go SEA)

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