UCSF

ZINC41271338

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 17 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) 3.22 8.88 -39.92 1 2 1 8 237.342 3
Mid Mid (pH 6-8) 3.22 6.94 -3.07 0 2 0 6 236.334 3

Activity (Go SEA)

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