UCSF

ZINC16700813

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 33 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) 3.77 8.95 -62.62 0 7 -1 88 450.511 12
Mid Mid (pH 6-8) 4.21 7.89 -29.58 1 7 0 85 451.519 11
Mid Mid (pH 6-8) 3.18 8.87 -24.78 0 7 0 82 451.519 12

Activity (Go SEA)

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