UCSF

ZINC60310637

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.51 -2.51 -70.39 4 7 1 109 255.316 9
Mid Mid (pH 6-8) -1.51 -2.87 -14.57 3 7 0 108 254.308 9

Activity (Go SEA)

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