UCSF

ZINC37228704

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 2.38 7.16 -42.61 2 2 1 20 297.875 4
Mid Mid (pH 6-8) 2.38 8.43 -34.02 2 2 1 16 297.875 4
Lo Low (pH 4.5-6) 2.38 9.61 -125.86 3 2 2 21 298.883 4

Activity (Go SEA)

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