UCSF

ZINC69949753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 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) -0.03 0.24 -42.56 3 7 0 106 241.276 2
Hi High (pH 8-9.5) -0.03 -0.23 -40.3 2 7 -1 105 240.268 2
Mid Mid (pH 6-8) -0.20 0.14 -47.29 3 7 0 107 241.276 3
Lo Low (pH 4.5-6) -0.03 0.37 -37.56 4 7 1 108 242.284 2

Activity (Go SEA)

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

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