UCSF

ZINC37176421

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 23 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) 1.63 6.78 -48.9 2 6 1 63 318.445 5
Mid Mid (pH 6-8) 1.63 4.56 -11.85 1 6 0 61 317.437 5

Activity (Go SEA)

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