UCSF

ZINC41198363

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 2.89 7.95 -29.73 2 2 1 29 289.449 3
Mid Mid (pH 6-8) 2.89 7.15 -4.22 1 2 0 25 288.441 3

Activity (Go SEA)

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