UCSF

ZINC43284658

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 1.02 3 -50.98 3 4 1 51 347.302 3
Hi High (pH 8-9.5) 1.02 2.7 -7.54 2 4 0 50 346.294 3

Activity (Go SEA)

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