UCSF

ZINC05260103

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 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) 3.18 -2.7 -9.03 1 4 0 59 296.417 3
Hi High (pH 8-9.5) 3.18 -2.14 -41.9 0 4 -1 61 295.409 3

Activity (Go SEA)

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