UCSF

ZINC41203360

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 17 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) 3.03 5.87 -40.52 3 3 1 46 255.407 6
Mid Mid (pH 6-8) 3.03 4.7 -9.63 2 3 0 41 254.399 6

Activity (Go SEA)

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