UCSF

ZINC19553003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 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) 0.71 5.24 -118.98 0 8 -2 123 380.356 7
Lo Low (pH 4.5-6) 0.71 4.42 -59.13 1 8 -1 120 381.364 7

Activity (Go SEA)

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