UCSF

ZINC04014086

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 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) 1.76 -1.03 -22.76 1 6 0 68 377.242 6
Mid Mid (pH 6-8) 1.76 -0.74 -53.76 2 6 1 69 378.25 6

Activity (Go SEA)

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