UCSF

ZINC39051712

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 9 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) 0.78 2.14 -5.04 1 2 0 25 122.171 1
Mid Mid (pH 6-8) 0.78 2.57 -25.53 2 2 1 26 123.179 1

Activity (Go SEA)

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