UCSF

ZINC23071338

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 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) 1.70 6.64 -47.63 3 2 1 37 246.305 4
Hi High (pH 8-9.5) 1.70 6.36 -4.32 2 2 0 35 245.297 4

Activity (Go SEA)

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