UCSF

ZINC13281578

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 14 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) 0.50 3.24 -8.69 1 4 0 51 194.234 6
Lo Low (pH 4.5-6) 0.50 4.9 -105.95 3 4 2 57 196.25 6

Activity (Go SEA)

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