UCSF

ZINC33701901

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 35 No

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) 4.43 14.75 -70.8 1 7 0 91 478.589 11
Lo Low (pH 4.5-6) 4.43 13.46 -57.52 2 7 1 88 479.597 11

Activity (Go SEA)

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