UCSF

ZINC33698663

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 33 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) 4.83 12.46 -40.81 0 5 -1 73 439.535 6
Lo Low (pH 4.5-6) 4.83 11.32 -15.53 1 5 0 71 440.543 6
Lo Low (pH 4.5-6) 4.83 11.75 -49.04 2 5 1 72 441.551 6

Activity (Go SEA)

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