UCSF

ZINC42778771

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) 1.63 5.59 -43.55 3 3 1 48 275.294 6
Mid Mid (pH 6-8) 1.63 5.29 -7.87 2 3 0 46 274.286 6

Activity (Go SEA)

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