UCSF

ZINC16756939

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 33 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) 0.39 0.92 -23.88 3 11 0 126 456.503 7
Mid Mid (pH 6-8) 0.39 1.31 -33.9 4 11 1 127 457.511 7
Lo Low (pH 4.5-6) 0.39 3.65 -100.75 5 11 2 128 458.519 7

Activity (Go SEA)

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