UCSF

ZINC06777864

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 23 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) 2.09 4.77 -50.29 0 7 -1 89 337.377 7
Lo Low (pH 4.5-6) 2.09 4.65 -14.95 1 7 0 87 338.385 7

Activity (Go SEA)

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