UCSF

ZINC50107128

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2010 15 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 2.73 -28.87 2 3 1 38 229.369 7
Hi High (pH 8-9.5) 2.02 1.86 -5.3 1 3 0 36 228.361 7

Activity (Go SEA)

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