UCSF

ZINC43409387

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 Yes

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) 0.80 3.71 -46.34 4 4 1 76 217.296 3
Hi High (pH 8-9.5) 0.80 3.33 -5.27 3 4 0 75 216.288 3

Activity (Go SEA)

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