UCSF

ZINC37049322

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) 1.48 5.15 -82.1 4 3 2 35 241.423 6
Hi High (pH 8-9.5) 1.48 2.66 -41.02 3 3 1 34 240.415 6
Hi High (pH 8-9.5) 1.48 4.92 -91.26 4 3 2 35 241.423 6

Activity (Go SEA)

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