UCSF

ZINC33813812

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 3.41 11.23 -58.98 0 9 -1 117 505.507 6
Lo Low (pH 4.5-6) 3.41 10.62 -21.38 1 9 0 114 506.515 6

Activity (Go SEA)

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