UCSF

ZINC13488695

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 26 No

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) 3.85 6.04 -11.68 2 5 0 79 337.338 0
Lo Low (pH 4.5-6) 3.85 6.4 -44.57 3 5 1 80 338.346 0

Activity (Go SEA)

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