UCSF

ZINC53370421

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.08 8.63 -7.97 2 7 0 80 348.838 4
Lo Low (pH 4.5-6) 2.08 8.98 -31.98 3 7 1 82 349.846 4
Lo Low (pH 4.5-6) 2.08 8.86 -30.59 3 7 1 82 349.846 4

Activity (Go SEA)

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