UCSF

ZINC19835586

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 20 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) 3.00 8.33 -91.15 2 3 2 12 281.488 4
Hi High (pH 8-9.5) 3.00 5.96 -26.63 1 3 1 11 280.48 4
Mid Mid (pH 6-8) 3.00 8.52 -104.81 2 3 2 12 281.488 4

Activity (Go SEA)

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