UCSF

ZINC56894843

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 15 Yes

Other Names:

MFCD21091937

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) 2.37 5.12 -36.07 2 2 1 20 205.325 2
Hi High (pH 8-9.5) 2.37 3.83 -2.24 1 2 0 15 204.317 2

Activity (Go SEA)

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