UCSF

ZINC67740618

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 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) 1.70 8.26 -41.53 3 7 1 87 343.407 6
Mid Mid (pH 6-8) 1.70 7.8 -29.3 2 7 0 85 342.399 6

Activity (Go SEA)

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

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