UCSF

ZINC34934187

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 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) 6.15 14.99 -81.12 1 7 0 83 522.686 16
Lo Low (pH 4.5-6) 6.15 14.26 -55.64 2 7 1 81 523.694 16

Activity (Go SEA)

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