UCSF

ZINC21531277

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 2.28 3.86 -65.64 2 7 1 80 394.448 6
Mid Mid (pH 6-8) 2.28 4.73 -28.07 1 7 0 79 393.44 6

Activity (Go SEA)

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