UCSF

ZINC39269014

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 22 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) 1.04 4.17 -13.28 2 6 0 79 293.282 0
Mid Mid (pH 6-8) 2.00 4.68 -51.98 2 6 -1 93 292.274 0

Activity (Go SEA)

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