UCSF

ZINC26174879

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 20 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) 2.55 6.72 -59.94 3 4 1 54 268.34 4
Hi High (pH 8-9.5) 2.55 6.32 -14.08 2 4 0 53 267.332 4
Mid Mid (pH 6-8) 2.55 7.13 -104.06 4 4 2 55 269.348 4

Activity (Go SEA)

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