UCSF

ZINC44683922

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 1.03 3.96 -30.72 2 3 1 20 224.372 3
Hi High (pH 8-9.5) 1.03 3.99 -34.32 2 3 1 20 224.372 3
Mid Mid (pH 6-8) 1.03 6.34 -77.85 3 3 2 21 225.38 3

Activity (Go SEA)

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