UCSF

ZINC05416895

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 14 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) 1.39 0.34 -53.42 0 4 -1 70 212.25 3
Lo Low (pH 4.5-6) 1.21 2.09 -13.4 1 4 0 63 213.258 3

Activity (Go SEA)

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