UCSF

ZINC34948440

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 4.76 11.61 -18.06 2 7 0 88 477.977 6
Lo Low (pH 4.5-6) 4.76 12.09 -48.64 3 7 1 89 478.985 6

Activity (Go SEA)

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