UCSF

ZINC41043953

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 16 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) 2.23 2.06 -8.74 2 4 0 63 262.4 5
Lo Low (pH 4.5-6) 2.23 1.91 -54.23 3 4 1 65 263.408 5

Activity (Go SEA)

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