UCSF

ZINC00222261

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 3.66 12.89 -12.64 0 4 0 43 306.344 2
Mid Mid (pH 6-8) 3.67 13.9 -46.56 2 4 1 47 307.352 2
Lo Low (pH 4.5-6) 3.66 13.2 -32.87 1 4 1 45 307.352 2
Lo Low (pH 4.5-6) 3.66 13.41 -29.46 1 4 1 44 307.352 2

Activity (Go SEA)

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