UCSF

ZINC33698322

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 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) 4.23 12.71 -56.98 0 5 -1 73 425.508 6
Lo Low (pH 4.5-6) 4.23 11.41 -17.96 1 5 0 71 426.516 6
Lo Low (pH 4.5-6) 4.23 11.86 -48.99 2 5 1 72 427.524 6

Activity (Go SEA)

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