UCSF

ZINC33687389

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 4.21 9.34 -12.09 1 6 0 71 431.945 6
Lo Low (pH 4.5-6) 0.54 10.16 -37.7 2 6 1 70 432.953 7

Activity (Go SEA)

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