UCSF

ZINC02488004

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 28 Yes

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) 3.45 10.33 -16.52 1 6 0 73 376.46 7
Mid Mid (pH 6-8) 3.46 11.26 -31.88 3 6 1 77 377.468 7
Mid Mid (pH 6-8) 3.45 10.81 -31.46 2 6 1 74 377.468 7
Lo Low (pH 4.5-6) 3.45 10.66 -37.89 2 6 1 74 377.468 7

Activity (Go SEA)

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