UCSF

ZINC05180329

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 28 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) 4.18 7.91 -13.46 2 7 0 89 398.488 8
Hi High (pH 8-9.5) 4.18 7.71 -51.73 1 7 -1 87 397.48 8

Activity (Go SEA)

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