UCSF

ZINC40640742

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 29 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) 0.86 6.87 -95.73 5 8 0 128 404.442 5
Lo Low (pH 4.5-6) 0.05 6.74 -74.32 6 8 1 131 405.45 5

Activity (Go SEA)

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