UCSF

ZINC47459890

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2010 24 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) 2.79 8.28 -44.99 2 4 1 37 330.496 7
Hi High (pH 8-9.5) 2.79 6.01 -8.48 1 4 0 36 329.488 7
Mid Mid (pH 6-8) 2.79 8.27 -42.82 2 4 1 37 330.496 7

Activity (Go SEA)

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