UCSF

ZINC44259801

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) 1.02 0.47 -52.54 4 5 1 87 288.368 4
Hi High (pH 8-9.5) 1.02 0.85 -30.49 3 5 0 89 287.36 4

Activity (Go SEA)

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