UCSF

ZINC20053077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 18 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) 3.91 8.92 -37.51 2 1 1 17 313.165 4
Hi High (pH 8-9.5) 3.91 7.45 -3.49 1 1 0 12 312.157 4

Activity (Go SEA)

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