UCSF

ZINC42195382

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 26 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) -0.47 3.3 -16.58 2 7 0 97 347.378 6
Lo Low (pH 4.5-6) -0.47 3.7 -47.51 3 7 1 98 348.386 6
Lo Low (pH 4.5-6) -0.47 4.11 -86.48 4 7 2 99 349.394 6

Activity (Go SEA)

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