UCSF

ZINC53126189

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 2.48 3.02 -38.45 4 4 1 66 294.415 7
Hi High (pH 8-9.5) 2.48 1.83 -7.45 3 4 0 62 293.407 7

Activity (Go SEA)

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