UCSF

ZINC61295237

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 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) 1.21 8.34 -95.68 3 4 2 41 297.468 6
Mid Mid (pH 6-8) 1.21 6.46 -45.26 2 4 1 40 296.46 6

Activity (Go SEA)

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