UCSF

ZINC40077513

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.69 8.39 -61.06 0 7 -1 88 424.473 9
Lo Low (pH 4.5-6) 3.69 7.64 -13.84 1 7 0 85 425.481 9

Activity (Go SEA)

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