UCSF

ZINC40137421

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 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) 5.36 9.16 -19.35 2 7 0 93 480.318 6
Hi High (pH 8-9.5) 5.36 10.17 -60.86 1 7 -1 96 479.31 6

Activity (Go SEA)

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