UCSF

ZINC16384216

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2008 30 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) 3.57 5.06 -17.15 2 9 0 138 451.457 7
Hi High (pH 8-9.5) 3.57 5.16 -40.94 1 9 -1 140 450.449 7
Hi High (pH 8-9.5) 3.57 5.37 -84.14 0 9 -2 142 449.441 7

Activity (Go SEA)

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