UCSF

ZINC44125835

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 1.87 9.4 -46.47 0 4 -1 74 261.297 8
Lo Low (pH 4.5-6) 1.87 7.43 -9.42 1 4 0 71 262.305 8

Activity (Go SEA)

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