UCSF

ZINC08783402

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 34 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) 2.94 -2 -65.68 2 7 -1 108 472.546 5
Lo Low (pH 4.5-6) 2.94 -1.89 -73.17 3 7 0 109 473.554 5

Activity (Go SEA)

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