UCSF

ZINC04095163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 26 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) 5.30 2.61 -6.95 0 5 0 64 357.45 6
Mid Mid (pH 6-8) 5.48 2.71 -6.79 0 5 0 64 357.45 6
Mid Mid (pH 6-8) 5.48 3.95 -8.82 0 5 0 64 357.45 6
Mid Mid (pH 6-8) 5.30 2.59 -7.02 0 5 0 64 357.45 6

Activity (Go SEA)

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