UCSF

ZINC16585467

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 25 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) 0.82 8.99 -33.79 3 7 1 92 345.423 7
Mid Mid (pH 6-8) 0.82 6.95 -10.18 2 7 0 90 344.415 7

Activity (Go SEA)

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