UCSF

ZINC37265837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 0.63 5.32 -135.78 4 3 2 41 272.339 4
Mid Mid (pH 6-8) 0.63 3.47 -52.58 3 3 1 40 271.331 4

Activity (Go SEA)

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