UCSF

ZINC44809514

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) 2.83 6.25 -11.89 1 4 0 66 253.305 3
Lo Low (pH 4.5-6) 2.83 6.63 -31.39 2 4 1 67 254.313 3

Activity (Go SEA)

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