UCSF

ZINC53116623

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 2.67 6.24 -42.29 3 4 1 54 288.415 4
Hi High (pH 8-9.5) 2.67 5.02 -10.32 2 4 0 50 287.407 4
Mid Mid (pH 6-8) 2.67 5.46 -25.75 3 4 1 51 288.415 4
Mid Mid (pH 6-8) 2.67 6.69 -92.26 4 4 2 55 289.423 4

Activity (Go SEA)

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