UCSF

ZINC34560634

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 3.05 7.27 -21.35 2 5 0 71 335.816 4
Hi High (pH 8-9.5) 3.05 6.82 -37.69 1 5 -1 73 334.808 4

Activity (Go SEA)

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