UCSF

ZINC34626445

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 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) 2.89 6.5 -2.09 2 1 0 26 187.286 1
Lo Low (pH 4.5-6) 2.89 6.34 -41.65 3 1 1 28 188.294 1

Activity (Go SEA)

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