UCSF

ZINC17058293

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 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) 3.09 7.15 -15.14 1 6 0 69 377.444 4
Ref Reference (pH 7) 2.90 9.56 -14.52 1 6 0 65 377.444 4
Lo Low (pH 4.5-6) 3.08 9.69 -37.7 2 6 1 70 378.452 4

Activity (Go SEA)

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