UCSF

ZINC33718444

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 4.26 9.25 -15.64 1 8 0 89 505.596 8
Lo Low (pH 4.5-6) 0.80 10.24 -41.89 2 8 1 89 506.604 9

Activity (Go SEA)

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