UCSF

ZINC13401890

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 28 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) 3.10 8.06 -56.44 2 5 -1 83 368.416 3
Lo Low (pH 4.5-6) 2.58 9.72 -10.89 3 5 0 77 369.424 3

Activity (Go SEA)

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