UCSF

ZINC16192769

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 35 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) 3.03 8.67 -47.1 0 8 -1 107 497.593 8
Mid Mid (pH 6-8) 2.45 7.87 -21.29 0 8 0 101 498.601 8
Mid Mid (pH 6-8) 3.48 6.88 -28 1 8 0 104 498.601 7

Activity (Go SEA)

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