UCSF

ZINC37143913

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 No

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) 1.69 4.88 -12.22 2 4 0 48 308.447 6
Mid Mid (pH 6-8) 1.69 6.88 -40.1 3 4 1 49 309.455 6

Activity (Go SEA)

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