UCSF

ZINC40163178

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2010 34 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) 2.87 9.57 -50.49 3 7 1 105 474.618 8
Mid Mid (pH 6-8) 2.87 7.67 -17.15 2 7 0 104 473.61 8

Activity (Go SEA)

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