UCSF

ZINC06565141

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 20 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) -2.55 -4.5 -44.38 0 4 1 37 301.476 2
Mid Mid (pH 6-8) -2.55 -1.6 -123.3 1 4 2 38 302.484 2

Activity (Go SEA)

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