UCSF

ZINC38610568

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 38 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) 4.62 10.08 -16.87 2 8 0 97 513.594 11
Mid Mid (pH 6-8) 4.62 10.85 -56.34 1 8 -1 100 512.586 11

Activity (Go SEA)

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