UCSF

ZINC36633902

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 25 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) 0.68 5.14 -47.65 1 7 1 64 348.423 5
Mid Mid (pH 6-8) 0.68 2.87 -13.39 0 7 0 62 347.415 5
Mid Mid (pH 6-8) 0.68 5.07 -48.74 1 7 1 64 348.423 5
Mid Mid (pH 6-8) 0.68 2.59 -13.14 0 7 0 62 347.415 5

Activity (Go SEA)

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