UCSF

ZINC34549222

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 36 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) 6.73 13.11 -40.73 2 5 1 52 504.672 9
Hi High (pH 8-9.5) 6.73 10.87 -10.37 1 5 0 51 503.664 9

Activity (Go SEA)

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