UCSF

ZINC19837571

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 17 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) 2.14 2.55 -12.38 2 4 0 62 248.669 2
Mid Mid (pH 6-8) 2.14 3.21 -42.33 1 4 -1 65 247.661 2

Activity (Go SEA)

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