UCSF

ZINC22175609

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 11 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) 0.93 1.71 -39.49 3 2 1 31 159.297 4
Hi High (pH 8-9.5) 0.93 3.42 -26.7 3 2 1 30 159.297 4
Mid Mid (pH 6-8) 0.93 3.55 -115.36 4 2 2 32 160.305 4

Activity (Go SEA)

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