UCSF

ZINC42945267

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 1.11 6.5 -103.33 4 4 2 52 311.857 4
Hi High (pH 8-9.5) 1.11 8.14 -35.84 3 4 1 51 310.849 4
Mid Mid (pH 6-8) 1.11 5.52 -44.22 3 4 1 51 310.849 4

Activity (Go SEA)

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