UCSF

ZINC35384747

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 17 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) -1.21 1.97 -44.83 2 7 0 109 234.215 5
Hi High (pH 8-9.5) -1.21 0.62 -51.42 1 7 -1 104 233.207 5
Lo Low (pH 4.5-6) -1.21 2.54 -75.51 3 7 1 110 235.223 5

Activity (Go SEA)

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