UCSF

ZINC02605548

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 23 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) 3.09 8.24 -55.27 1 6 -1 72 323.405 3
Mid Mid (pH 6-8) 2.36 8.37 -13.13 2 6 0 75 324.413 3

Activity (Go SEA)

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