UCSF

ZINC00848082

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 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) 4.38 0.75 -14.89 0 10 0 129 492.484 7
Mid Mid (pH 6-8) 4.38 1.48 -16.51 0 10 0 129 492.484 7
Mid Mid (pH 6-8) 4.57 1.56 -14.4 0 10 0 129 492.484 7
Mid Mid (pH 6-8) 4.57 1.91 -22.27 0 10 0 129 492.484 7

Activity (Go SEA)

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