UCSF

ZINC17243586

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 34 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) 4.61 12.45 -11.89 2 8 0 94 472.936 5
Lo Low (pH 4.5-6) 4.61 12.74 -43.81 3 8 1 95 473.944 5

Activity (Go SEA)

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