UCSF

ZINC44609058

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) 1.24 4.21 -42.43 3 3 1 44 298.382 5
Lo Low (pH 4.5-6) 1.24 5.83 -107.88 4 3 2 45 299.39 5

Activity (Go SEA)

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