UCSF

ZINC42434711

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 2.69 5.68 -30.84 2 3 1 38 263.748 2
Hi High (pH 8-9.5) 2.69 5.27 -5.31 1 3 0 36 262.74 2

Activity (Go SEA)

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