UCSF

ZINC33796053

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 4.52 9.79 -58.18 1 8 -1 112 519.53 7
Lo Low (pH 4.5-6) 4.52 8.49 -23.49 2 8 0 109 520.538 7

Activity (Go SEA)

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