UCSF

ZINC42594177

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 2.48 6.17 -109.21 4 3 2 46 226.364 8
Mid Mid (pH 6-8) 2.48 5.01 -35.24 3 3 1 42 225.356 8
Mid Mid (pH 6-8) 2.48 5.12 -34.39 3 3 1 42 225.356 8

Activity (Go SEA)

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