UCSF

ZINC24152854

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2009 27 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) 2.93 4.66 -27.1 2 6 0 97 387.457 5
Mid Mid (pH 6-8) 2.93 5.1 -50.38 1 6 -1 99 386.449 5

Activity (Go SEA)

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