UCSF

ZINC36829101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 20 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) 0.64 3.13 -50.14 2 6 1 75 300.404 4
Hi High (pH 8-9.5) 1.10 1.05 -68.83 1 6 0 78 299.396 4

Activity (Go SEA)

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