UCSF

ZINC28115430

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 21 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) -1.09 4.54 -97.27 3 4 2 53 282.343 0
Hi High (pH 8-9.5) 2.50 4.23 -10.66 1 4 0 45 280.327 1

Activity (Go SEA)

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