UCSF

ZINC43462044

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) 1.75 3.23 -44.85 3 3 1 45 182.291 3
Hi High (pH 8-9.5) 1.75 3 -4.74 2 3 0 44 181.283 3

Activity (Go SEA)

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