UCSF

ZINC40749383

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 3.27 6.09 -38.61 3 2 1 31 239.427 6
Mid Mid (pH 6-8) 3.27 8.24 -25.89 3 2 1 30 239.427 6
Mid Mid (pH 6-8) 3.27 8.25 -101.12 4 2 2 32 240.435 6

Activity (Go SEA)

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