UCSF

ZINC38609792

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 4.98 9.52 -13.44 2 7 0 88 447.535 10
Mid Mid (pH 6-8) 4.98 10.29 -53.03 1 7 -1 91 446.527 10

Activity (Go SEA)

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