UCSF

ZINC39269471

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 2.02 5.16 -34.54 2 2 1 25 228.262 1
Hi High (pH 8-9.5) 2.02 2.78 -3.6 1 2 0 23 227.254 1

Activity (Go SEA)

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