UCSF

ZINC16995696

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 32 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) 4.10 9.18 -15.76 2 6 0 82 448.885 4
Hi High (pH 8-9.5) 4.08 9 -54.11 0 6 -1 81 447.877 4
Hi High (pH 8-9.5) 4.08 9.15 -48.36 0 6 -1 81 447.877 4
Mid Mid (pH 6-8) 4.10 9.92 -46.69 1 6 -1 85 447.877 4
Lo Low (pH 4.5-6) 4.10 8.61 -38.21 3 6 1 83 449.893 4

Activity (Go SEA)

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