UCSF

ZINC24968352

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 24 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) 1.39 4.1 -34.74 2 7 0 93 351.338 4
Mid Mid (pH 6-8) 1.45 3.16 -50.75 1 7 -1 99 350.33 4

Activity (Go SEA)

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