UCSF

ZINC55032588

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 12 Yes

Other Names:

MFCD17219197

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) 0.65 0.75 -49.49 4 2 1 48 170.207 2
Hi High (pH 8-9.5) 0.65 0.28 -4.76 3 2 0 46 169.199 2

Activity (Go SEA)

Rings

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