UCSF

ZINC37142577

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 2.09 8.12 -108.73 3 4 2 41 297.487 4
Hi High (pH 8-9.5) 2.09 7.18 -39.39 2 4 1 37 296.479 4

Activity (Go SEA)

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