UCSF

ZINC34984874

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 5.29 13.49 -14.91 1 6 0 62 506.65 7
Lo Low (pH 4.5-6) 5.29 15.91 -56.54 2 6 1 63 507.658 7

Activity (Go SEA)

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