UCSF

ZINC40905828

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 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) 3.86 5.52 -37.9 3 3 1 46 264.389 4
Hi High (pH 8-9.5) 3.86 6.27 -31.83 2 3 0 49 263.381 4

Activity (Go SEA)

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