UCSF

ZINC36380806

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 24 Yes

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) 1.49 4.78 -19.59 3 6 0 88 344.44 4
Lo Low (pH 4.5-6) 1.49 5.09 -40.49 4 6 1 90 345.448 4

Activity (Go SEA)

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