UCSF

ZINC37087357

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.37 5.73 -47.08 3 4 1 55 327.235 3
Mid Mid (pH 6-8) 2.37 6.48 -32.03 2 4 0 57 326.227 3

Activity (Go SEA)

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