UCSF

ZINC33436095

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 36 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) 7.29 16.41 -73.19 1 5 0 65 531.524 13
Lo Low (pH 4.5-6) 7.29 15.58 -52.25 2 5 1 62 532.532 13

Activity (Go SEA)

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