UCSF

ZINC67458003

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 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) 2.25 11.28 -37.4 1 4 1 26 313.469 6
Mid Mid (pH 6-8) 2.25 13.26 -114.19 2 4 2 27 314.477 6
Lo Low (pH 4.5-6) 2.25 11.79 -74.77 2 4 2 27 314.477 6
Lo Low (pH 4.5-6) 2.25 13.77 -164.42 3 4 3 28 315.485 6

Activity (Go SEA)

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