UCSF

ZINC47405355

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2010 20 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) 1.66 6.7 -35.97 3 7 1 97 274.304 7
Mid Mid (pH 6-8) 1.66 6.22 -11.68 2 7 0 96 273.296 7

Activity (Go SEA)

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