UCSF

ZINC05283911

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 26 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) 5.56 10.25 -18.9 2 4 0 58 343.43 3
Lo Low (pH 4.5-6) 5.56 10.68 -34.27 3 4 1 59 344.438 3

Activity (Go SEA)

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