UCSF

ZINC20278643

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 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) 0.21 0.13 -8.98 3 5 0 63 222.292 4
Mid Mid (pH 6-8) 0.21 0.48 -31.07 4 5 1 65 223.3 4
Mid Mid (pH 6-8) 0.21 2.46 -41.94 4 5 1 65 223.3 4
Lo Low (pH 4.5-6) 0.21 2.82 -97.46 5 5 2 66 224.308 4

Activity (Go SEA)

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