UCSF

ZINC51397809

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 18 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) 1.58 5.34 -40.29 3 4 1 53 250.366 7
Hi High (pH 8-9.5) 1.58 4.94 -4.95 2 4 0 51 249.358 7
Mid Mid (pH 6-8) 1.58 5.02 -22.02 3 4 1 53 250.366 7
Lo Low (pH 4.5-6) 1.58 5.41 -101.02 4 4 2 54 251.374 7

Activity (Go SEA)

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