UCSF

ZINC44532086

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) -1.41 -1.23 -49.56 5 7 1 109 226.26 2
Mid Mid (pH 6-8) -0.95 -2.92 -60.51 4 7 0 113 225.252 2

Activity (Go SEA)

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