UCSF

ZINC36616580

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 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) 1.43 8.62 -12 0 7 0 67 404.518 6
Mid Mid (pH 6-8) 1.43 10.83 -54.48 1 7 1 68 405.526 6

Activity (Go SEA)

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