UCSF

ZINC43392221

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.36 7.87 -58.52 3 1 1 28 331.155 3
Hi High (pH 8-9.5) 2.36 7.57 -6.99 2 1 0 26 330.147 3

Activity (Go SEA)

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