UCSF

ZINC34984914

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 25 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) 3.59 8.08 -14.7 3 5 0 71 400.276 3
Lo Low (pH 4.5-6) 3.59 7.9 -65.98 4 5 1 73 401.284 3

Activity (Go SEA)

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