UCSF

ZINC20053572

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 18 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) 2.27 4.38 -42.52 2 3 1 29 318.21 5
Hi High (pH 8-9.5) 2.27 2.97 -3.51 1 3 0 24 317.202 5
Lo Low (pH 4.5-6) 2.27 5.3 -37.42 2 3 1 26 318.21 5

Activity (Go SEA)

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