UCSF

ZINC37466254

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 20 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) 2.25 2.47 -52.56 3 3 1 34 328.811 5
Hi High (pH 8-9.5) 2.25 2.39 -3.65 2 3 0 32 327.803 5
Mid Mid (pH 6-8) 2.25 4.57 -116.58 4 3 2 35 329.819 5

Activity (Go SEA)

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