UCSF

ZINC32115273

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 0.88 3.96 -106.4 4 4 2 45 269.364 6
Mid Mid (pH 6-8) 0.88 1.55 -42.91 3 4 1 43 268.356 6

Activity (Go SEA)

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