UCSF

ZINC39344748

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2010 26 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) 2.51 5.27 -13.39 0 7 0 72 359.474 8
Mid Mid (pH 6-8) 2.51 6.99 -39.1 1 7 1 73 360.482 8

Activity (Go SEA)

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