UCSF

ZINC06314335

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 1.78 7.98 -51.47 0 7 -1 96 389.387 6
Mid Mid (pH 6-8) 2.22 0.04 -26.6 1 7 0 92 390.395 5
Mid Mid (pH 6-8) 1.19 0.32 -18.45 0 7 0 89 390.395 6

Activity (Go SEA)

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