UCSF

ZINC37476904

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 16 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) 0.58 5.87 -95.48 3 4 2 41 227.352 5
Hi High (pH 8-9.5) 0.58 2.39 -7.33 1 4 0 36 225.336 5
Mid Mid (pH 6-8) 0.58 3.67 -38.58 2 4 1 40 226.344 5

Activity (Go SEA)

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