UCSF

ZINC22455114

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 15 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) 1.29 3.13 -38.82 2 3 1 28 209.313 5
Hi High (pH 8-9.5) 1.29 3.92 -59.82 1 3 0 31 208.305 5
Mid Mid (pH 6-8) 1.29 3.26 -38.94 2 3 1 28 209.313 5

Activity (Go SEA)

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