UCSF

ZINC44622603

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 No

Download: MOL2 SDF SMILES Flexibase

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) -1.24 4.6 -38.34 2 5 0 74 212.249 6
Hi High (pH 8-9.5) -1.24 1.97 -49.58 1 5 -1 72 211.241 6

Activity (Go SEA)

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