UCSF

ZINC49534828

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2010 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) 0.36 1.21 -12.52 2 5 0 75 249.295 3
Hi High (pH 8-9.5) 0.36 2.69 -39.97 2 5 0 79 249.295 3
Mid Mid (pH 6-8) 0.36 2.22 -53.99 1 5 -1 78 248.287 3
Lo Low (pH 4.5-6) 0.36 1.68 -40.65 3 5 1 76 250.303 3

Activity (Go SEA)

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