UCSF

ZINC56894875

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 20 Yes

Other Names:

MFCD21091945

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) 3.13 7.45 -43.54 2 2 1 20 271.359 3
Hi High (pH 8-9.5) 3.13 6.32 -3.15 1 2 0 15 270.351 3

Activity (Go SEA)

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