UCSF

ZINC61804283

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 21 No

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) -1.45 -3.31 -42.44 8 8 1 146 298.298 7
Mid Mid (pH 6-8) -1.45 -4.92 -22.73 7 8 0 145 297.29 7

Activity (Go SEA)

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