UCSF

ZINC19536984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 17 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) 2.04 5.92 -35.06 1 3 1 17 235.351 4
Mid Mid (pH 6-8) 2.04 5.93 -35 1 3 1 17 235.351 4
Mid Mid (pH 6-8) 2.04 3.61 -4.01 0 3 0 16 234.343 4

Activity (Go SEA)

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