UCSF

ZINC47538196

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 19 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) 1.73 7.36 -9.19 1 4 0 51 250.305 3
Lo Low (pH 4.5-6) 1.73 8.26 -77.86 3 4 2 53 252.321 3
Lo Low (pH 4.5-6) 1.73 7.83 -31.44 2 4 1 52 251.313 3
Lo Low (pH 4.5-6) 1.73 7.8 -39.69 2 4 1 52 251.313 3

Activity (Go SEA)

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