UCSF

ZINC20266744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 No

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) 1.02 7.97 -20.73 0 3 0 37 223.247 4
Hi High (pH 8-9.5) 1.76 7.91 -51.26 0 3 -1 43 222.239 3

Activity (Go SEA)

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