UCSF

ZINC40129054

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 26 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) 3.53 8.17 -30.04 1 5 0 76 386.498 5
Hi High (pH 8-9.5) 3.71 6.51 -66.77 0 5 -1 82 385.49 5

Activity (Go SEA)

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