UCSF

ZINC37231989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 1.98 5.54 -40.46 2 2 1 20 235.376 4
Hi High (pH 8-9.5) 1.98 4.35 -3.61 1 2 0 15 234.368 4

Activity (Go SEA)

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