UCSF

ZINC21548799

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 2.17 5.71 -12.88 2 7 0 71 375.498 7
Mid Mid (pH 6-8) 2.17 7.97 -44.59 3 7 1 72 376.506 7
Mid Mid (pH 6-8) 2.17 8.12 -49.45 3 7 1 72 376.506 7

Activity (Go SEA)

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

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