UCSF

ZINC34932896

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 2.43 7.5 -79.53 2 8 0 104 454.523 10
Lo Low (pH 4.5-6) 2.43 6.75 -53.78 3 8 1 101 455.531 10

Activity (Go SEA)

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