UCSF

ZINC34938193

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 1.35 4.57 -10.36 0 3 0 36 222.263 5
Mid Mid (pH 6-8) 1.35 6.92 -57.43 1 3 1 37 223.271 5

Activity (Go SEA)

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