UCSF

ZINC37822969

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.35 5.08 -87.05 4 5 2 67 260.341 4
Hi High (pH 8-9.5) -0.35 4.33 -10.27 2 5 0 64 258.325 4
Mid Mid (pH 6-8) -0.35 4.74 -56.06 3 5 1 66 259.333 4

Activity (Go SEA)

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