UCSF

ZINC52566094

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 26 No

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) -3.07 -0.1 -75 8 10 1 175 384.438 7
Hi High (pH 8-9.5) -3.07 -0.91 -58.32 6 10 -1 173 382.422 7
Mid Mid (pH 6-8) -3.07 -0.56 -54.75 7 10 0 174 383.43 7

Activity (Go SEA)

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

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