UCSF

ZINC34088428

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 18 No

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) 2.09 2.03 -13.59 1 5 0 65 293.772 7
Mid Mid (pH 6-8) 2.09 2.19 -47.09 0 5 -1 67 292.764 7

Activity (Go SEA)

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