UCSF

ZINC60313619

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 14 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) 3.60 7.76 -2.15 0 1 0 3 189.302 1
Mid Mid (pH 6-8) 3.60 8.44 -28.7 1 1 1 4 190.31 1

Activity (Go SEA)

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