UCSF

ZINC41531780

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) 0.55 -0.59 -44.28 0 5 -1 64 246.337 2
Mid Mid (pH 6-8) 1.47 -0.08 -13.79 1 5 0 66 247.345 1
Lo Low (pH 4.5-6) 0.55 1.87 -57 1 5 0 66 247.345 2
Lo Low (pH 4.5-6) 1.47 2.35 -53.98 2 5 1 67 248.353 1

Activity (Go SEA)

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