UCSF

ZINC35081356

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 0.41 6 -50.56 3 5 1 70 246.338 4
Hi High (pH 8-9.5) 0.41 3.79 -10.98 2 5 0 69 245.33 4
Mid Mid (pH 6-8) 0.41 6.31 -102.61 4 5 2 72 247.346 4
Mid Mid (pH 6-8) 0.41 4.09 -33.15 3 5 1 70 246.338 4

Activity (Go SEA)

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