UCSF

ZINC43913007

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.64 5.18 -94.06 3 4 2 40 248.411 11
Hi High (pH 8-9.5) 1.64 2.18 -2.38 1 4 0 34 246.395 11
Mid Mid (pH 6-8) 1.64 3.24 -31.85 2 4 1 38 247.403 11
Mid Mid (pH 6-8) 1.64 3.8 -28.45 2 4 1 35 247.403 11

Activity (Go SEA)

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