UCSF

ZINC36622326

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 3.54 8.8 -13.22 1 6 0 59 418.541 6
Mid Mid (pH 6-8) 3.54 10.8 -50.3 2 6 1 61 419.549 6

Activity (Go SEA)

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