UCSF

ZINC42452143

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 2.13 3.36 -38.89 3 3 1 40 227.372 4
Mid Mid (pH 6-8) 2.13 5.2 -116.18 4 3 2 41 228.38 4

Activity (Go SEA)

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