UCSF

ZINC20217524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 0.84 3.05 -99.01 5 5 2 64 278.4 4
Hi High (pH 8-9.5) 0.84 3.32 -91.07 5 5 2 64 278.4 4

Activity (Go SEA)

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