UCSF

ZINC14010753

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 31 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) 2.98 7.94 -54.34 0 8 -1 106 481.282 5
Ref Reference (pH 7) 2.98 8.05 -53.51 0 8 -1 106 481.282 5
Lo Low (pH 4.5-6) 2.52 10.49 -15.81 1 8 0 103 482.29 5

Activity (Go SEA)

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