UCSF

ZINC34556985

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 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) 3.63 8.92 -41.73 2 6 1 55 386.564 10
Hi High (pH 8-9.5) 3.63 6.66 -10.12 1 6 0 53 385.556 10

Activity (Go SEA)

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