UCSF

ZINC19505493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 1.70 7.03 -61.15 0 6 -1 87 296.343 4
Lo Low (pH 4.5-6) 1.70 5.91 -15.79 1 6 0 84 297.351 4

Activity (Go SEA)

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