UCSF

ZINC56874552

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 25 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) -5.57 -11.62 -127.39 10 12 1 215 363.347 8
Hi High (pH 8-9.5) -5.57 -12.42 -61.34 8 12 -1 211 361.331 8
Mid Mid (pH 6-8) -5.57 -12.12 -91.03 9 12 0 213 362.339 8

Activity (Go SEA)

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

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