UCSF

ZINC20255134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -2.00 -0.64 -34.26 2 6 0 94 222.266 4
Hi High (pH 8-9.5) -2.00 -0.38 -43.68 1 6 -1 90 221.258 4

Activity (Go SEA)

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