UCSF

ZINC40812599

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 30 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) 3.13 8.52 -16.34 2 5 0 61 399.494 7
Lo Low (pH 4.5-6) 3.13 10.7 -53.16 3 5 1 66 400.502 7

Activity (Go SEA)

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