UCSF

ZINC45701861

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 0.83 6.24 -39.99 2 5 1 69 232.3 10
Hi High (pH 8-9.5) 0.83 5.05 -7.77 1 5 0 65 231.292 10

Activity (Go SEA)

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