UCSF

ZINC42465942

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.53 3.18 -39.58 3 4 1 57 229.344 4
Hi High (pH 8-9.5) 0.53 2.89 -5.12 2 4 0 56 228.336 4

Activity (Go SEA)

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