UCSF

ZINC67967343

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) -0.08 2.18 -53.32 3 8 1 93 308.391 5
Hi High (pH 8-9.5) -0.08 -0.22 -42.94 1 8 -1 90 306.375 5
Mid Mid (pH 6-8) -0.08 -0.21 -11.36 2 8 0 92 307.383 5

Activity (Go SEA)

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

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