UCSF

ZINC20433061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 12 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) -1.36 1.08 -54.11 4 4 1 60 190.292 5
Hi High (pH 8-9.5) -1.36 -1.46 -18.31 3 4 0 58 189.284 5

Activity (Go SEA)

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