UCSF

ZINC43396046

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 1.62 5.72 -53.21 3 3 1 44 260.283 5
Hi High (pH 8-9.5) 1.62 5.3 -6.75 2 3 0 42 259.275 5
Mid Mid (pH 6-8) 1.62 6.14 -104.03 4 3 2 45 261.291 5
Mid Mid (pH 6-8) 1.62 5.76 -25.96 3 3 1 43 260.283 5

Activity (Go SEA)

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