UCSF

ZINC37826075

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 Yes

Other Names:

MFCD12810156

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) -0.73 3.07 -95.49 4 4 2 52 201.314 3
Hi High (pH 8-9.5) -0.73 2.67 -45.53 3 4 1 51 200.306 3

Activity (Go SEA)

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