UCSF

ZINC37044154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.54 5.26 -56.96 4 3 1 57 301.332 4
Hi High (pH 8-9.5) 2.54 4.86 -10.55 3 3 0 55 300.324 4

Activity (Go SEA)

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