UCSF

ZINC05740772

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 28 Yes

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) 6.63 10.17 -7.1 0 3 0 31 399.29 6
Lo Low (pH 4.5-6) 6.63 11.03 -35.93 1 3 1 33 400.298 6

Activity (Go SEA)

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