UCSF

ZINC26395782

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 38 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) 4.86 10.94 -55.06 0 11 -1 132 511.518 11
Mid Mid (pH 6-8) 4.86 12.56 -47 1 11 0 134 512.526 11
Lo Low (pH 4.5-6) 4.86 12.69 -36.58 2 11 1 135 513.534 11

Activity (Go SEA)

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