UCSF

ZINC15937056

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 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) 2.82 1.1 -37.27 1 7 -1 102 432.787 5
Hi High (pH 8-9.5) 2.82 1.37 -117.98 0 7 -2 104 431.779 5
Lo Low (pH 4.5-6) 3.19 3.4 -12.06 2 7 0 96 433.795 5

Activity (Go SEA)

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