UCSF

ZINC41573132

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) 1.41 3.71 -10.42 1 7 0 81 341.433 6
Hi High (pH 8-9.5) 1.59 2.08 -38.63 0 7 -1 87 340.425 6
Lo Low (pH 4.5-6) 1.41 5.97 -45.94 2 7 1 82 342.441 6

Activity (Go SEA)

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