UCSF

ZINC20474628

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 14 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) 0.10 2.48 -72.32 2 5 0 74 200.238 5
Hi High (pH 8-9.5) 0.10 0.09 -50.34 1 5 -1 72 199.23 5

Activity (Go SEA)

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