UCSF

ZINC43424896

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 3.21 6.11 -41.83 3 3 1 40 283.48 6
Lo Low (pH 4.5-6) 3.21 6.84 -112.56 4 3 2 41 284.488 6

Activity (Go SEA)

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