UCSF

ZINC35004246

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 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) 3.20 9.6 -66.87 1 7 0 83 477.344 6
Lo Low (pH 4.5-6) 3.20 8.85 -49.9 2 7 1 81 478.352 6

Activity (Go SEA)

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