UCSF

ZINC69745091

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 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) 2.62 6.55 -57.74 3 4 1 67 288.367 5
Hi High (pH 8-9.5) 2.62 6.28 -53.26 1 4 -1 65 286.351 5
Mid Mid (pH 6-8) 2.62 5.41 -16.36 2 4 0 62 287.359 5
Mid Mid (pH 6-8) 2.62 7.42 -69.53 2 4 0 70 287.359 5

Activity (Go SEA)

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

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