UCSF

ZINC44136372

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 18 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) 2.47 5.74 -45.4 2 4 1 52 250.318 4
Mid Mid (pH 6-8) 2.47 4.49 -6.11 1 4 0 48 249.31 4

Activity (Go SEA)

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