UCSF

ZINC46503257

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 20 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) 1.77 4.28 -8.91 1 4 0 42 296.436 8
Mid Mid (pH 6-8) 1.77 6.45 -38.19 2 4 1 43 297.444 8

Activity (Go SEA)

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