UCSF

ZINC16731342

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 31 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) 2.44 7.25 -57.26 0 9 -1 125 429.38 8
Mid Mid (pH 6-8) 2.89 6.17 -32.94 1 9 0 122 430.388 7
Mid Mid (pH 6-8) 1.86 7.19 -27.31 0 9 0 119 430.388 8

Activity (Go SEA)

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