UCSF

ZINC42773552

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 25 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) 0.15 6.18 -50.46 2 8 1 76 347.443 7
Hi High (pH 8-9.5) 0.15 3.91 -19.83 1 8 0 75 346.435 7

Activity (Go SEA)

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