UCSF

ZINC20381880

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 2.88 5.92 -39.29 4 3 1 42 276.326 7
Hi High (pH 8-9.5) 2.88 3.7 -4.1 3 3 0 41 275.318 7

Activity (Go SEA)

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