UCSF

ZINC37301063

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 4.41 8.91 -42.61 2 2 1 26 339.228 5
Mid Mid (pH 6-8) 4.41 7.79 -4.59 1 2 0 21 338.22 5

Activity (Go SEA)

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