UCSF

ZINC01360533

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 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) 3.16 9.82 -11.99 1 5 0 54 313.332 4
Lo Low (pH 4.5-6) 3.16 10.01 -34.98 2 5 1 56 314.34 5

Activity (Go SEA)

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