UCSF

ZINC04681845

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2005 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.52 2.43 -12.2 0 4 0 55 367.489 6
Mid Mid (pH 6-8) 5.52 5.03 -6.88 0 4 0 55 367.489 6
Mid Mid (pH 6-8) 5.68 5.86 -25.92 0 4 0 55 367.489 6

Activity (Go SEA)

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