UCSF

ZINC19873171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 20 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) 0.97 4.02 -53.91 5 4 1 80 275.303 4
Hi High (pH 8-9.5) 0.97 3.78 -13.7 4 4 0 78 274.295 4

Activity (Go SEA)

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