UCSF

ZINC52831143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 15 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) 2.27 5.81 -9.09 1 3 0 38 219.313 3
Mid Mid (pH 6-8) 2.27 5.99 -30.11 2 3 1 39 220.321 3
Mid Mid (pH 6-8) 2.27 5.98 -34.28 2 3 1 39 220.321 3

Activity (Go SEA)

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

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