UCSF

ZINC06146874

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 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) 4.68 8.64 -17.9 2 6 0 78 378.476 6
Hi High (pH 8-9.5) 5.13 6.74 -59.57 1 6 -1 81 377.468 6
Mid Mid (pH 6-8) 4.68 8.74 -81.64 3 6 0 79 379.484 6

Activity (Go SEA)

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