UCSF

ZINC27182395

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 21 No

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) 3.43 4.48 -46.39 4 3 1 57 325.215 1
Mid Mid (pH 6-8) 3.43 5.28 -61.84 3 3 0 60 324.207 1

Activity (Go SEA)

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