UCSF

ZINC37803789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) -1.61 -0.54 -58.28 5 8 1 123 310.359 5
Hi High (pH 8-9.5) -1.16 -3.71 -53.38 3 8 -1 124 308.343 5
Hi High (pH 8-9.5) -1.61 -0.94 -19.6 4 8 0 121 309.351 5

Activity (Go SEA)

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