UCSF

ZINC05095240

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 26 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) 2.86 2.98 -9.78 4 6 0 108 344.374 2
Mid Mid (pH 6-8) 2.86 2.32 -9.19 4 6 0 108 344.374 2
Lo Low (pH 4.5-6) 2.86 3.18 -57.61 5 6 1 110 345.382 2

Activity (Go SEA)

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