UCSF

ZINC06118447

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 6.09 11.6 -9.15 0 1 0 13 283.374 0
Mid Mid (pH 6-8) 6.09 11.97 -24.4 1 1 1 14 284.382 0

Activity (Go SEA)

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