UCSF

ZINC69670026

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 16 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) 1.99 6.15 -102.66 4 2 2 32 224.392 4
Mid Mid (pH 6-8) 1.99 3.78 -41.43 3 2 1 31 223.384 4
Mid Mid (pH 6-8) 1.99 5.84 -27.44 3 2 1 30 223.384 4

Activity (Go SEA)

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

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