UCSF

ZINC04261207

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 25 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) 3.12 5.44 -10.8 3 6 0 91 337.379 6
Lo Low (pH 4.5-6) 3.12 5.8 -37.03 4 6 1 92 338.387 6

Activity (Go SEA)

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