UCSF

ZINC42163617

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 14 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) 0.28 4.68 -34.63 1 4 0 48 200.282 5
Mid Mid (pH 6-8) 0.28 7.14 -74.92 2 4 1 49 201.29 5
Mid Mid (pH 6-8) 0.28 5.13 -48.08 1 4 0 48 200.282 5

Activity (Go SEA)

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