UCSF

ZINC20127273

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 1.32 8.2 -50.18 2 3 1 37 291.44 4
Hi High (pH 8-9.5) 1.32 6.89 -9.91 1 3 0 32 290.432 4

Activity (Go SEA)

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