UCSF

ZINC23069767

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 20 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) 0.24 5.97 -98.85 4 4 2 45 279.428 6
Hi High (pH 8-9.5) 0.24 3.65 -47.68 3 4 1 43 278.42 6
Hi High (pH 8-9.5) 0.24 3.41 -2.86 2 4 0 42 277.412 6
Mid Mid (pH 6-8) 0.24 5.03 -27.33 3 4 1 43 278.42 6

Activity (Go SEA)

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