UCSF

ZINC06569611

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 29 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) 2.73 9.8 -12.29 0 7 0 89 404.451 3
Lo Low (pH 4.5-6) 2.73 10.08 -37.3 1 7 1 90 405.459 3

Activity (Go SEA)

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