UCSF

ZINC34934067

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 39 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) 5.88 14.77 -74.29 1 7 0 83 528.649 13
Lo Low (pH 4.5-6) 5.88 14.01 -48.39 2 7 1 81 529.657 13

Activity (Go SEA)

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