UCSF

ZINC08158167

Substance Information

In ZINC since Heavy atoms Benign functionality
July 2nd, 2006 22 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) 2.44 5.79 -15.21 2 6 0 79 303.362 5
Hi High (pH 8-9.5) 2.62 4.65 -55.47 1 6 -1 85 302.354 5

Activity (Go SEA)

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