UCSF

ZINC19948450

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 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) 3.63 8.37 -47.79 2 2 1 26 262.398 7
Mid Mid (pH 6-8) 3.63 6.95 -4.76 1 2 0 21 261.39 7

Activity (Go SEA)

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