UCSF

ZINC26163514

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 20 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) 1.82 3.28 -10.53 3 4 0 64 270.332 6
Mid Mid (pH 6-8) 1.82 4.54 -37.91 4 4 1 69 271.34 6

Activity (Go SEA)

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