UCSF

ZINC62952127

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 3.03 8.91 -114.07 4 3 2 45 292.467 4
Mid Mid (pH 6-8) 3.03 7.12 -41.17 3 3 1 44 291.459 4
Mid Mid (pH 6-8) 3.03 8.6 -30.31 3 3 1 44 291.459 4

Activity (Go SEA)

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

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