UCSF

ZINC53659091

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 14 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) 1.50 4.23 -38.38 2 2 1 20 207.288 5
Mid Mid (pH 6-8) 1.50 6.33 -93.23 3 2 2 21 208.296 5

Activity (Go SEA)

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