UCSF

ZINC05223914

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 26 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) 3.18 8.46 -42.04 2 5 1 56 355.458 3
Hi High (pH 8-9.5) 3.18 6.14 -6.75 1 5 0 55 354.45 3

Activity (Go SEA)

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