UCSF

ZINC06316382

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 21 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) 3.56 6.68 -19.86 1 7 0 108 325.371 3
Mid Mid (pH 6-8) 2.64 6.15 -61.91 0 7 -1 107 324.363 4

Activity (Go SEA)

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