UCSF

ZINC36677864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 16 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) 1.37 4.14 -41.72 4 4 1 63 240.352 3
Mid Mid (pH 6-8) 1.37 2.08 -6.01 3 4 0 62 239.344 3

Activity (Go SEA)

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