UCSF

ZINC19582193

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 25 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) 2.53 9.16 -46.57 1 4 1 33 335.475 8
Mid Mid (pH 6-8) 2.53 8.93 -41.54 1 4 1 33 335.475 8
Mid Mid (pH 6-8) 2.53 9.31 -93.67 2 4 2 35 336.483 8

Activity (Go SEA)

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