UCSF

ZINC42304699

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 3.86 7.74 -12.71 1 6 0 88 370.228 4
Hi High (pH 8-9.5) 3.93 6.34 -38.77 0 6 -1 94 369.22 4

Activity (Go SEA)

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