UCSF

ZINC05982194

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 25 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) 2.22 8.39 -59.79 1 6 -1 87 350.379 2
Mid Mid (pH 6-8) 2.29 6.98 -148.64 0 6 -2 93 349.371 2

Activity (Go SEA)

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