UCSF

ZINC34920402

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 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) 3.64 11.58 -61.98 0 8 -1 101 513.57 12
Lo Low (pH 4.5-6) 3.64 10.83 -17.82 1 8 0 98 514.578 12

Activity (Go SEA)

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