UCSF

ZINC62038329

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 20 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) 3.19 9.42 -102.54 3 2 2 21 278.415 4
Mid Mid (pH 6-8) 3.19 8.45 -31.63 2 2 1 16 277.407 4
Mid Mid (pH 6-8) 3.19 7.06 -41.62 2 2 1 20 277.407 4

Activity (Go SEA)

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

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