UCSF

ZINC01666058

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 19 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) 1.84 -5.67 -11.45 1 6 0 85 281.337 5
Hi High (pH 8-9.5) 1.84 -5.79 -44.92 0 6 -1 87 280.329 5

Activity (Go SEA)

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