UCSF

ZINC37240028

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 1.79 6.5 -38.23 1 2 1 22 182.287 1
Hi High (pH 8-9.5) 1.79 4.37 -3.82 0 2 0 20 181.279 1

Activity (Go SEA)

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