UCSF

ZINC39309151

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 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) 4.21 11.19 -45.41 1 6 1 64 434.299 7
Mid Mid (pH 6-8) 4.21 10.67 -13.78 0 6 0 63 433.291 7

Activity (Go SEA)

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