UCSF

ZINC00387305

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 Yes

Other Names:

MFCD04154035

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) 1.79 4.59 -10.94 1 4 0 55 219.269 2
Hi High (pH 8-9.5) 2.31 2.78 -41.02 0 4 -1 61 218.261 2

Activity (Go SEA)

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