UCSF

ZINC08695286

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 36 No

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) 6.24 13.91 -47.68 2 6 1 71 514.086 14
Mid Mid (pH 6-8) 5.66 14.58 -53.58 1 6 1 68 514.086 14

Activity (Go SEA)

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