UCSF

ZINC40893369

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 2.80 9.38 -44.99 3 6 1 66 419.549 6
Hi High (pH 8-9.5) 2.80 7.12 -12.12 2 6 0 65 418.541 6

Activity (Go SEA)

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