UCSF

ZINC42777872

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 2.29 8.03 -42.35 2 4 1 38 305.368 7
Hi High (pH 8-9.5) 2.29 6.77 -4.64 1 4 0 33 304.36 7

Activity (Go SEA)

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