UCSF

ZINC37505721

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 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) 4.07 9.03 -39.44 2 2 1 26 321.238 6
Mid Mid (pH 6-8) 4.07 7.62 -5.58 1 2 0 21 320.23 6

Activity (Go SEA)

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