UCSF

ZINC50345812

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 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) 3.84 5.73 -47.61 3 2 1 31 346.358 4
Hi High (pH 8-9.5) 3.84 5.68 -1.76 2 2 0 29 345.35 4
Mid Mid (pH 6-8) 3.84 7.22 -31.94 3 2 1 30 346.358 4
Lo Low (pH 4.5-6) 3.84 7.93 -122.73 4 2 2 32 347.366 4

Activity (Go SEA)

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