UCSF

ZINC42874323

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 1.89 5.4 -46.71 2 5 1 57 287.339 6
Lo Low (pH 4.5-6) 1.89 5.85 -89.1 3 5 2 58 288.347 6

Activity (Go SEA)

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