UCSF

ZINC20420038

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 15 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) -0.50 1.33 -49.76 3 4 1 51 214.333 5
Hi High (pH 8-9.5) -0.50 3.19 -33.76 3 4 1 51 214.333 5
Hi High (pH 8-9.5) -0.50 0.97 -9.32 2 4 0 50 213.325 5
Mid Mid (pH 6-8) -0.50 3.56 -104.53 4 4 2 52 215.341 5

Activity (Go SEA)

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