UCSF

ZINC16956560

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 31 No

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) 3.12 7.8 -65.23 0 7 -1 88 424.473 9
Mid Mid (pH 6-8) 2.54 7.27 -14.4 0 7 0 82 425.481 9
Lo Low (pH 4.5-6) 3.12 6.97 -15.83 1 7 0 85 425.481 9

Activity (Go SEA)

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