UCSF

ZINC20217623

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) -0.31 4.01 -83.1 5 5 2 72 235.335 2
Hi High (pH 8-9.5) -0.31 1.88 -37.66 4 5 1 71 234.327 2

Activity (Go SEA)

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