UCSF

ZINC43510608

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 24 Yes

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) 3.14 6.3 -50.91 2 4 -1 81 335.464 6
Lo Low (pH 4.5-6) 3.14 4.28 -8.72 3 4 0 78 336.472 6

Activity (Go SEA)

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