UCSF

ZINC34562069

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 29 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) 5.85 13.26 -5.87 0 3 0 10 387.571 6
Lo Low (pH 4.5-6) 5.85 13.98 -17.84 1 3 0 11 388.579 6
Lo Low (pH 4.5-6) 5.85 14.78 -70.78 2 3 0 12 389.587 6

Activity (Go SEA)

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