UCSF

ZINC41168258

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 12 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) 0.21 1.9 -48.62 3 4 1 49 170.236 1
Mid Mid (pH 6-8) 0.21 0.59 -8.11 2 4 0 44 169.228 1

Activity (Go SEA)

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