UCSF

ZINC22168829

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 1.46 6.21 -69.25 4 5 1 75 281.339 4
Hi High (pH 8-9.5) 1.46 5.82 -19.75 3 5 0 73 280.331 4
Mid Mid (pH 6-8) 1.46 6.64 -100.29 5 5 2 76 282.347 4

Activity (Go SEA)

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