UCSF

ZINC06235059

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2006 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.48 3.84 -40.83 1 6 -1 86 223.237 3
Mid Mid (pH 6-8) 0.48 4.38 -52.4 1 6 -1 90 223.237 3
Lo Low (pH 4.5-6) 0.48 4.35 -16.76 2 6 0 88 224.245 3

Activity (Go SEA)

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