UCSF

ZINC33706650

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 29 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) 3.89 7.9 -14.09 1 7 0 80 452.319 3
Lo Low (pH 4.5-6) 0.23 8.31 -43.02 2 7 1 80 453.327 4

Activity (Go SEA)

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