UCSF

ZINC06271510

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 22 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) 4.54 11.03 -16.09 0 4 0 44 314.772 3
Lo Low (pH 4.5-6) 4.54 11.51 -52 1 4 1 45 315.78 3

Activity (Go SEA)

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