UCSF

ZINC38002012

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 4.68 6.9 -34.58 3 2 1 29 346.358 3
Mid Mid (pH 6-8) 4.68 7.94 -102.53 4 2 2 33 347.366 3

Activity (Go SEA)

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