UCSF

ZINC43901777

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 2.22 7.73 -40.31 2 3 1 29 270.4 7
Mid Mid (pH 6-8) 2.22 9.24 -133.78 3 3 2 34 271.408 7
Mid Mid (pH 6-8) 2.22 7.34 -41.16 2 3 1 33 270.4 7

Activity (Go SEA)

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