UCSF

ZINC44136116

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 2.60 6.79 -52.56 3 4 1 57 295.378 3
Hi High (pH 8-9.5) 2.60 6.11 -7.78 2 4 0 56 294.37 3

Activity (Go SEA)

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