UCSF

ZINC21876250

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 35 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) 0.59 5.46 -49.16 3 10 1 104 482.609 8
Hi High (pH 8-9.5) 0.59 3.09 -19.19 2 10 0 103 481.601 8
Mid Mid (pH 6-8) 0.59 5.43 -50.64 3 10 1 104 482.609 8

Activity (Go SEA)

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