UCSF

ZINC06134985

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 26 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) 5.17 11.27 -7.87 1 4 0 54 340.43 3
Lo Low (pH 4.5-6) 5.17 11.91 -57.73 2 4 1 56 341.438 3

Activity (Go SEA)

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