UCSF

ZINC62624460

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 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) 3.37 9.31 -35.94 2 2 1 20 253.369 2
Mid Mid (pH 6-8) 3.37 8.07 -30.8 2 2 1 16 253.369 2
Mid Mid (pH 6-8) 3.37 8.09 -2.61 1 2 0 15 252.361 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.