UCSF

ZINC42901247

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 2.43 5.12 -43.85 3 2 1 31 261.414 5
Lo Low (pH 4.5-6) 2.43 8.01 -117.5 4 2 2 32 262.422 5

Activity (Go SEA)

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