UCSF

ZINC06919911

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 23 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) 3.41 7.41 -11.63 1 4 0 55 305.381 5
Lo Low (pH 4.5-6) 3.41 7.68 -46.45 2 4 1 56 306.389 5

Activity (Go SEA)

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