UCSF

ZINC42226246

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 3.18 7.49 -31.72 2 2 1 16 271.787 5
Hi High (pH 8-9.5) 3.18 5.27 -2.79 1 2 0 15 270.779 5
Mid Mid (pH 6-8) 3.18 6.64 -33.67 2 2 1 20 271.787 5

Activity (Go SEA)

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