UCSF

ZINC39557351

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 21 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) 2.87 7.25 -102.16 0 5 -2 85 283.283 5
Mid Mid (pH 6-8) 2.87 6.49 -50.93 1 5 -1 82 284.291 5
Lo Low (pH 4.5-6) 2.87 6.82 -65.29 2 5 0 84 285.299 5

Activity (Go SEA)

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