UCSF

ZINC06238900

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 27 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) 3.26 8.69 -58.55 0 5 -1 70 384.839 7
Mid Mid (pH 6-8) 3.71 0.57 -22 1 5 0 66 385.847 6
Mid Mid (pH 6-8) 2.68 -0.14 -12.07 0 5 0 63 385.847 7

Activity (Go SEA)

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