UCSF

ZINC06294943

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 28 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) 3.16 8.87 -47.42 0 6 -1 83 391.428 5
Mid Mid (pH 6-8) 3.16 -0.22 -17.45 1 6 0 79 392.436 5
Mid Mid (pH 6-8) 2.58 -0.35 -25.91 0 6 0 76 392.436 5

Activity (Go SEA)

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