UCSF

ZINC20474101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 16 No

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) 1.87 6.58 -39.8 2 3 1 34 247.79 7
Hi High (pH 8-9.5) 1.87 4.25 -9.78 1 3 0 32 246.782 7

Activity (Go SEA)

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