UCSF

ZINC19537016

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 16 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) 2.46 7.18 -32.35 1 2 1 8 219.352 3
Mid Mid (pH 6-8) 2.46 7.16 -33.42 1 2 1 8 219.352 3
Mid Mid (pH 6-8) 2.46 4.9 -2.32 0 2 0 6 218.344 3

Activity (Go SEA)

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