UCSF

ZINC05884082

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 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) 1.99 1.29 -49.02 2 6 1 74 398.458 8
Mid Mid (pH 6-8) 1.40 1.12 -56.49 1 6 1 71 398.458 8

Activity (Go SEA)

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