UCSF

ZINC43284508

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 16 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) 0.83 -0.04 -60.73 4 4 1 60 305.221 3
Hi High (pH 8-9.5) 0.83 -0.4 -7.64 3 4 0 58 304.213 3

Activity (Go SEA)

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