UCSF

ZINC08871795

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 29 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) 3.63 10.13 -45.81 2 5 1 62 462.339 7
Mid Mid (pH 6-8) 3.04 10.78 -56.52 1 5 1 59 462.339 7

Activity (Go SEA)

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