UCSF

ZINC33595193

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.53 9.74 -46.42 0 5 -1 75 468.341 4
Lo Low (pH 4.5-6) 5.07 12.42 -12.06 1 5 0 72 469.349 4

Activity (Go SEA)

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