UCSF

ZINC44879334

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 No

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) 0.52 0.78 -48.4 5 6 1 92 245.347 6
Hi High (pH 8-9.5) 0.71 -0.98 -31.73 4 6 0 98 244.339 6

Activity (Go SEA)

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