UCSF

ZINC20002138

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 16 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) 4.12 7.03 -30.57 2 2 1 26 235.738 4
Hi High (pH 8-9.5) 4.12 6.63 -6.84 1 2 0 25 234.73 4

Activity (Go SEA)

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