UCSF

ZINC44833285

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 13 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) -0.51 0.55 -23.45 3 5 0 81 216.291 3
Hi High (pH 8-9.5) -0.32 -0.75 -53.64 2 5 -1 87 215.283 3

Activity (Go SEA)

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