UCSF

ZINC37080699

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.53 5.84 -117.32 4 3 2 41 236.359 6
Mid Mid (pH 6-8) 1.53 3.91 -45.48 3 3 1 40 235.351 6
Mid Mid (pH 6-8) 1.53 5.49 -34.07 3 3 1 40 235.351 6

Activity (Go SEA)

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