UCSF

ZINC08780640

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 36 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) 5.65 13.18 -23.27 2 6 0 85 507.652 10
Mid Mid (pH 6-8) 5.61 -1.16 -10.57 1 6 0 85 507.652 10

Activity (Go SEA)

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