UCSF

ZINC52886377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 15 Yes

Other Names:

MFCD16778800

YB-4294

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) 3.03 5.78 -5.8 2 2 0 39 202.232 1
Mid Mid (pH 6-8) 3.03 6.23 -28.95 3 2 1 40 203.24 1

Activity (Go SEA)

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

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