UCSF

ZINC37859708

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) -0.16 4.69 -176.14 5 4 3 46 232.392 8
Mid Mid (pH 6-8) -0.16 5.2 -95.83 4 4 2 49 231.384 8
Mid Mid (pH 6-8) -0.16 2.21 -102.54 4 4 2 45 231.384 8

Activity (Go SEA)

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