UCSF

ZINC40863872

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 19 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 7.2 -23.32 2 3 1 38 257.357 2
Mid Mid (pH 6-8) 3.22 6.77 -6.97 1 3 0 36 256.349 2

Activity (Go SEA)

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