UCSF

ZINC04116536

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 13 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) -1.69 -4.64 -8.01 3 5 0 85 179.179 3
Lo Low (pH 4.5-6) -1.69 -4.52 -38.19 4 5 1 86 180.187 3

Activity (Go SEA)

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