UCSF

ZINC17995092

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 21 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) 0.76 4.67 -26.62 1 7 0 94 302.315 3
Mid Mid (pH 6-8) 0.95 3.6 -56.41 0 7 -1 100 301.307 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.