UCSF

ZINC62077099

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 23 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) 3.63 8.02 -8.35 0 4 0 33 318.461 6
Lo Low (pH 4.5-6) 3.63 10.22 -44.47 1 4 1 34 319.469 6

Activity (Go SEA)

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