UCSF

ZINC19843459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 0.29 3.8 -96.8 4 3 2 41 200.326 3
Hi High (pH 8-9.5) 0.29 1.4 -45.55 3 3 1 40 199.318 3

Activity (Go SEA)

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