UCSF

ZINC19428528

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 17 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) -1.16 -2.9 -58.83 3 6 0 110 278.355 5
Lo Low (pH 4.5-6) -1.16 -2.98 -62.84 4 6 1 108 279.363 5

Activity (Go SEA)

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