UCSF

ZINC06624553

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 30 No

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) 3.98 10.41 -50.04 2 6 1 74 400.458 4
Mid Mid (pH 6-8) 3.98 9.98 -19.32 1 6 0 73 399.45 4

Activity (Go SEA)

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