UCSF

ZINC34982535

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 24 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) 4.95 6.39 -14.34 2 6 0 80 458.106 5
Hi High (pH 8-9.5) 4.95 7.4 -55.03 1 6 -1 83 457.098 5

Activity (Go SEA)

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