UCSF

ZINC40917422

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 25 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) 6.84 13.51 -54.33 0 2 -1 40 341.515 7
Lo Low (pH 4.5-6) 6.84 12.93 -5.09 1 2 0 37 342.523 7

Activity (Go SEA)

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