UCSF

ZINC56894878

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 21 Yes

Other Names:

MFCD21091946

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 6.68 -40.98 2 3 1 29 283.395 4
Hi High (pH 8-9.5) 3.03 5.38 -4.34 1 3 0 24 282.387 4

Activity (Go SEA)

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