UCSF

ZINC70192696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 2.92 7.93 -38.1 2 4 1 37 307.849 5
Mid Mid (pH 6-8) 2.92 9.54 -102.84 3 4 2 38 308.857 5
Mid Mid (pH 6-8) 2.92 8.7 -91.6 3 4 2 38 308.857 5
Lo Low (pH 4.5-6) 2.92 10.31 -190.06 4 4 3 40 309.865 5

Activity (Go SEA)

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

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