UCSF

ZINC06554149

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 29 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) 3.27 8.7 -61.87 1 5 -1 81 384.411 5
Mid Mid (pH 6-8) 2.69 8.97 -12.47 1 5 0 75 385.419 5
Mid Mid (pH 6-8) 3.27 8.57 -14.14 2 5 0 78 385.419 5

Activity (Go SEA)

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