UCSF

ZINC37229453

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.55 7.96 -36.07 2 3 1 26 342.301 7
Mid Mid (pH 6-8) 3.55 6.62 -45.11 2 3 1 29 342.301 7

Activity (Go SEA)

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