UCSF

ZINC37247056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 No

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) 1.97 5.45 -6.24 0 6 0 69 318.16 2
Mid Mid (pH 6-8) 1.97 7.79 -47.9 1 6 1 71 319.168 2

Activity (Go SEA)

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