UCSF

ZINC95932345

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2014 14 No

Other Names:

N/A

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) 0.36 5.35 -10.27 0 5 0 70 200.19 4
Hi High (pH 8-9.5) 0.94 4.3 -44.02 0 5 -1 76 199.182 3

Activity (Go SEA)

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

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