UCSF

ZINC49737691

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 24 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) 3.30 8.71 -37.96 2 4 1 37 332.512 8
Hi High (pH 8-9.5) 3.30 6.34 -7.84 1 4 0 36 331.504 8
Mid Mid (pH 6-8) 3.30 8.21 -40.99 2 4 1 37 332.512 8

Activity (Go SEA)

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