UCSF

ZINC33819081

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 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) 5.96 15.26 -40.7 1 9 1 90 506.627 9
Mid Mid (pH 6-8) 5.96 15.9 -91.62 2 9 2 91 507.635 9
Mid Mid (pH 6-8) 5.96 14.16 -21.22 0 9 0 89 505.619 9

Activity (Go SEA)

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