UCSF

ZINC43498324

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 11 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) -0.40 -1.7 -45.57 3 4 1 49 158.225 3
Lo Low (pH 4.5-6) -0.40 0.55 -121.68 4 4 2 50 159.233 3

Activity (Go SEA)

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