UCSF

ZINC04266307

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 26 Yes

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) 4.57 11.1 -13.03 0 5 0 51 345.402 5
Lo Low (pH 4.5-6) 4.57 11.44 -29.86 1 5 1 53 346.41 5

Activity (Go SEA)

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