UCSF

ZINC20412355

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 29 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) 4.07 8.81 -55.23 2 6 1 67 460.348 4
Hi High (pH 8-9.5) 4.07 6.78 -43.81 0 6 -1 69 458.332 4
Mid Mid (pH 6-8) 4.07 8.69 -57.61 2 6 1 67 460.348 4
Mid Mid (pH 6-8) 4.07 6.33 -13.88 1 6 0 66 459.34 4

Activity (Go SEA)

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