UCSF

ZINC03061952

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 16 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) -0.64 1.02 -7.41 2 5 0 71 221.26 4
Lo Low (pH 4.5-6) -0.64 1.3 -37.39 3 5 1 72 222.268 4

Activity (Go SEA)

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