UCSF

ZINC22057744

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 16 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) 1.40 0.37 -42.35 4 4 1 74 224.28 4
Hi High (pH 8-9.5) 1.40 -0.08 -49.99 2 4 -1 72 222.264 4
Hi High (pH 8-9.5) 1.40 -0.88 -10.86 3 4 0 70 223.272 4

Activity (Go SEA)

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