UCSF

ZINC34548836

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 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) 6.03 14.95 -43.02 1 4 1 31 400.546 7
Hi High (pH 8-9.5) 6.03 12.49 -10 0 4 0 30 399.538 7
Lo Low (pH 4.5-6) 6.03 15.52 -75.63 2 4 2 33 401.554 7

Activity (Go SEA)

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