UCSF

ZINC59494566

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 16 No

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) 0.10 6.28 -29.52 2 5 0 83 231.292 8
Hi High (pH 8-9.5) 0.10 5.46 -46.7 1 5 -1 78 230.284 8

Activity (Go SEA)

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