UCSF

ZINC20141114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.65 7.35 -42.79 2 3 1 39 257.357 5
Hi High (pH 8-9.5) 2.65 6.07 -5.68 1 3 0 34 256.349 5

Activity (Go SEA)

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