UCSF

ZINC04829430

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 30 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) 6.40 9.34 -19.76 2 6 0 83 397.434 5
Hi High (pH 8-9.5) 6.40 8.96 -64.06 1 6 -1 86 396.426 5
Hi High (pH 8-9.5) 6.40 10.35 -73.04 1 6 -1 86 396.426 5

Activity (Go SEA)

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