UCSF

ZINC34667865

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 33 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) 4.84 13.49 -53.01 2 5 1 50 455.504 6
Mid Mid (pH 6-8) 4.84 11.26 -11.56 1 5 0 48 454.496 6

Activity (Go SEA)

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