UCSF

ZINC36720683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 20 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) 0.58 4.75 -90.26 6 6 2 88 275.356 6
Mid Mid (pH 6-8) 0.58 4.24 -56.19 5 6 1 87 274.348 6

Activity (Go SEA)

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