UCSF

ZINC19837155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 1.64 0.51 -15.5 2 5 0 68 225.244 5
Hi High (pH 8-9.5) 1.64 1.53 -60.41 1 5 -1 71 224.236 5

Activity (Go SEA)

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