UCSF

ZINC04999632

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 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) 3.15 8.37 -32.46 1 8 0 95 416.503 10
Mid Mid (pH 6-8) 2.83 -1.79 -63.28 1 8 1 95 417.511 10

Activity (Go SEA)

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