UCSF

ZINC37079874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 0.73 6.6 -122.17 4 3 2 41 262.397 4
Mid Mid (pH 6-8) 0.73 6.29 -33.75 3 3 1 40 261.389 4
Mid Mid (pH 6-8) 0.73 4.8 -41.07 3 3 1 40 261.389 4

Activity (Go SEA)

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