UCSF

ZINC42608930

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 0.83 3.52 -36.21 0 8 -1 99 298.319 10
Lo Low (pH 4.5-6) 0.83 5.36 -48.29 2 8 1 102 300.335 10

Activity (Go SEA)

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