UCSF

ZINC22153042

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 4.00 10.75 -117.29 3 2 2 21 262.441 6
Hi High (pH 8-9.5) 4.00 9.5 -31.71 2 2 1 16 261.433 6
Mid Mid (pH 6-8) 4.00 8.39 -41.46 2 2 1 20 261.433 6

Activity (Go SEA)

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