UCSF

ZINC09692295

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 30 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) 2.95 -0.63 -56.57 1 8 1 75 477.383 4
Mid Mid (pH 6-8) 2.95 -0.41 -138.85 2 8 2 76 478.391 4

Activity (Go SEA)

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