UCSF

ZINC42239908

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 3.25 5.17 -3.73 0 3 0 22 314.223 4
Lo Low (pH 4.5-6) 3.25 7.44 -34.11 1 3 1 23 315.231 4

Activity (Go SEA)

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