UCSF

ZINC13073474

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2008 31 Yes

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) 3.94 8.35 -13.98 1 6 0 76 456.589 6
Hi High (pH 8-9.5) 3.94 8.4 -50.67 0 6 -1 78 455.581 6

Activity (Go SEA)

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