UCSF

ZINC55413016

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 23 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) 1.30 5.55 -42.81 2 6 1 67 319.429 6
Mid Mid (pH 6-8) 1.30 4.24 -13.22 1 6 0 66 318.421 6
Lo Low (pH 4.5-6) 1.30 6.01 -80.36 3 6 2 68 320.437 6

Activity (Go SEA)

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