UCSF

ZINC42206242

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 3.00 9.69 -42.64 1 5 1 53 315.191 3
Mid Mid (pH 6-8) 3.00 7.45 -5.73 0 5 0 52 314.183 3

Activity (Go SEA)

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