UCSF

ZINC45347847

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 8 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) -1.00 -4.39 -37.94 4 3 1 57 118.156 0
Hi High (pH 8-9.5) -1.00 -5.72 -3.69 3 3 0 52 117.148 0

Activity (Go SEA)

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