UCSF

ZINC44686467

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 1.34 9.47 -37.94 2 4 1 34 283.399 5
Hi High (pH 8-9.5) 1.34 7.09 -6.86 1 4 0 33 282.391 5
Mid Mid (pH 6-8) 1.34 9.99 -72.41 3 4 2 36 284.407 5

Activity (Go SEA)

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