UCSF

ZINC42774895

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.70 4.39 -37.6 2 4 1 51 252.334 7
Hi High (pH 8-9.5) 1.70 3.03 -44.4 0 4 -1 53 250.318 7
Mid Mid (pH 6-8) 1.70 2.25 -9.67 1 4 0 50 251.326 7

Activity (Go SEA)

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