UCSF

ZINC06345375

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 28 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) 2.87 8.87 -44.3 1 6 1 63 370.436 2
Mid Mid (pH 6-8) 2.87 8.54 -16.27 0 6 0 62 369.428 2

Activity (Go SEA)

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