UCSF

ZINC37806347

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -2.06 0.02 -52.06 5 7 1 106 269.325 5
Hi High (pH 8-9.5) -2.06 -0.39 -17.09 4 7 0 105 268.317 5

Activity (Go SEA)

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