UCSF

ZINC07036222

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2006 24 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) 2.26 4.88 -12.77 2 7 0 93 341.396 5
Hi High (pH 8-9.5) 2.26 5.64 -44 1 7 -1 96 340.388 5

Activity (Go SEA)

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