UCSF

ZINC44265518

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 1.74 4.72 -48.5 3 4 1 67 280.779 5
Hi High (pH 8-9.5) 1.74 4.39 -7.46 2 4 0 65 279.771 5

Activity (Go SEA)

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