UCSF

ZINC36677487

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 14 Yes

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) -0.85 1.01 -49.38 3 4 1 51 200.306 3
Mid Mid (pH 6-8) -0.85 2.96 -113.97 4 4 2 52 201.314 3

Activity (Go SEA)

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