UCSF

ZINC33774218

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 37 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) 3.44 12.71 -68.92 1 8 0 96 509.647 14
Lo Low (pH 4.5-6) 3.44 11.42 -54.19 2 8 1 93 510.655 14

Activity (Go SEA)

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