UCSF

ZINC36639739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 6.70 12.97 -16.58 1 4 0 55 476.907 5
Hi High (pH 8-9.5) 6.76 11.54 -53.28 0 4 -1 61 475.899 5

Activity (Go SEA)

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