UCSF

ZINC32595836

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 26 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) 3.39 2.65 -39.27 1 6 -1 94 427.833 6
Mid Mid (pH 6-8) 3.39 2.79 -16.85 2 6 0 92 428.841 6
Mid Mid (pH 6-8) 3.39 2.72 -107.22 0 6 -2 96 426.825 6

Activity (Go SEA)

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