UCSF

ZINC20146467

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.47 9.71 -73.2 3 3 2 21 291.483 7
Mid Mid (pH 6-8) 2.47 8.59 -87.13 3 3 2 24 291.483 7
Lo Low (pH 4.5-6) 2.47 11.01 -161.65 4 3 3 25 292.491 7

Activity (Go SEA)

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