UCSF

ZINC70302404

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 20 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) -0.16 0.27 -60.71 3 9 1 131 303.32 5
Mid Mid (pH 6-8) -0.16 -1.19 -14.44 2 9 0 126 302.312 5
Mid Mid (pH 6-8) -0.16 0 -40.73 2 9 0 133 302.312 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.