UCSF

ZINC19504333

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 0.53 3.18 -11.74 2 2 0 29 212.343 2
Lo Low (pH 4.5-6) 0.53 5.01 -42.56 3 2 1 30 213.351 2

Activity (Go SEA)

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