UCSF

ZINC20573456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 25 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) 2.15 7.03 -48.14 1 6 1 56 345.419 4
Hi High (pH 8-9.5) 2.15 4.13 -13.25 0 6 0 55 344.411 4
Mid Mid (pH 6-8) 2.15 6.24 -47.82 1 6 1 56 345.419 4
Lo Low (pH 4.5-6) 2.15 9.08 -118.02 2 6 2 58 346.427 4

Activity (Go SEA)

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