UCSF

ZINC08813228

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 31 Yes

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) 5.59 12.76 -53.33 2 4 1 46 451.015 6
Hi High (pH 8-9.5) 5.59 10.43 -14.12 1 4 0 45 450.007 6

Activity (Go SEA)

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