UCSF

ZINC60137222

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 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) 4.54 11.14 -23.63 3 3 1 45 288.374 1
Mid Mid (pH 6-8) 4.54 11.2 -11.63 2 3 0 43 287.366 1

Activity (Go SEA)

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