UCSF

ZINC60041273

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 13 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) -1.32 -2.96 -29.94 6 7 1 116 180.195 1
Mid Mid (pH 6-8) -1.32 -3.42 -7 5 7 0 115 179.187 1

Activity (Go SEA)

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