UCSF

ZINC49278027

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 17 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) -1.37 -1.45 -95.81 5 6 2 74 246.355 7
Mid Mid (pH 6-8) -1.37 -3.64 -48.51 4 6 1 72 245.347 7
Lo Low (pH 4.5-6) -1.37 -1.36 -118.28 5 6 2 74 246.355 7

Activity (Go SEA)

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