UCSF

ZINC23334463

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 34 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) 3.90 10.71 -49.75 3 7 1 81 461.586 7
Mid Mid (pH 6-8) 3.90 10.74 -46.27 3 7 1 81 461.586 7

Activity (Go SEA)

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