UCSF

ZINC09085893

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 37 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) 7.09 16.68 -26.19 1 5 0 72 509.989 4
Mid Mid (pH 6-8) 7.48 2.37 -20.02 0 5 0 72 509.989 4
Mid Mid (pH 6-8) 7.32 1.71 -19.74 0 5 0 72 509.989 4

Activity (Go SEA)

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