UCSF

ZINC08381889

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2006 22 No

Download: MOL2 SDF SMILES Flexibase

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) 2.74 3.15 -42.1 3 6 1 82 301.37 4
Hi High (pH 8-9.5) 2.74 3.97 -47.88 2 6 0 85 300.362 4
Hi High (pH 8-9.5) 2.74 1.75 -48.84 1 6 -1 84 299.354 4

Activity (Go SEA)

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