UCSF

ZINC59408267

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 27 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) 7.46 12.57 -3.9 2 3 0 52 371.613 4
Mid Mid (pH 6-8) 7.46 12.15 -25.36 3 3 1 53 372.621 4

Activity (Go SEA)

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