UCSF

ZINC13488276

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 24 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) 0.72 7.52 -60.95 2 6 -1 98 387.213 5
Lo Low (pH 4.5-6) 0.72 7.76 -75.95 3 6 0 99 388.221 5

Activity (Go SEA)

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