UCSF

ZINC09013463

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 28 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) 5.46 11.79 -57.52 0 4 -1 60 396.894 8
Lo Low (pH 4.5-6) 5.46 10.97 -11.71 1 4 0 58 397.902 8

Activity (Go SEA)

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