UCSF

ZINC40846430

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 31 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) 5.48 12.22 -15.26 1 6 0 74 417.461 7
Lo Low (pH 4.5-6) 5.48 13.56 -52.81 2 6 1 78 418.469 7

Activity (Go SEA)

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