UCSF

ZINC13722237

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 26 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) 1.92 6.19 -16.03 1 6 0 59 350.422 4
Mid Mid (pH 6-8) 1.92 6.64 -35.15 2 6 1 61 351.43 4
Lo Low (pH 4.5-6) 1.92 8.86 -119.66 3 6 2 62 352.438 4

Activity (Go SEA)

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