UCSF

ZINC05059788

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 19 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) 3.71 8.29 -10.07 0 2 0 22 253.276 3
Lo Low (pH 4.5-6) 3.71 8.78 -31.39 1 2 1 23 254.284 3

Activity (Go SEA)

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