UCSF

ZINC59570322

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 15 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) 1.69 5.08 -50.41 1 3 -1 60 203.217 1
Mid Mid (pH 6-8) 1.69 3.04 -6.92 2 3 0 58 204.225 1

Activity (Go SEA)

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