UCSF

ZINC05925246

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 24 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) 1.81 5.65 -59.42 1 7 -1 103 367.838 6
Mid Mid (pH 6-8) 1.81 5.95 -18.1 2 7 0 101 368.846 6

Activity (Go SEA)

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