UCSF

ZINC19794272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 24 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) 4.42 7.42 -58.29 3 5 0 87 320.348 3
Mid Mid (pH 6-8) 4.16 6.56 -65.71 2 5 -1 89 319.34 2
Mid Mid (pH 6-8) 4.16 6.92 -49.23 3 5 0 90 320.348 2

Activity (Go SEA)

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