UCSF

ZINC44132975

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 2.69 6.29 -31.21 2 3 1 28 291.459 5
Lo Low (pH 4.5-6) 2.69 8.9 -98.7 3 3 2 29 292.467 5

Activity (Go SEA)

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