UCSF

ZINC09010191

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 36 No

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) 6.51 0.64 -9.68 0 6 0 74 487.596 7
Mid Mid (pH 6-8) 6.69 0.8 -11.04 0 6 0 74 487.596 7
Mid Mid (pH 6-8) 6.69 2.11 -18.35 0 6 0 74 487.596 7
Mid Mid (pH 6-8) 6.51 0.68 -13.55 0 6 0 74 487.596 7

Activity (Go SEA)

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