UCSF

ZINC19633699

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 17 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) 2.93 8.24 -32.98 1 2 1 8 233.379 5
Hi High (pH 8-9.5) 2.93 5.93 -2.58 0 2 0 6 232.371 5
Mid Mid (pH 6-8) 2.93 8.24 -36.02 1 2 1 8 233.379 5

Activity (Go SEA)

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