UCSF

ZINC09358248

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 33 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) 4.77 10.42 -42.73 0 6 -1 79 450.555 9
Mid Mid (pH 6-8) 5.22 10.47 -17.25 1 6 0 76 451.563 8

Activity (Go SEA)

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