UCSF

ZINC08779361

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 34 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) 3.36 11.11 -52.13 0 10 -1 145 478.462 7
Mid Mid (pH 6-8) 2.77 0.7 -21.07 0 10 0 139 479.47 7

Activity (Go SEA)

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