UCSF

ZINC37816812

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.19 5.55 -40.22 3 4 1 51 288.415 5
Hi High (pH 8-9.5) -0.19 5.23 -6.51 2 4 0 50 287.407 5
Mid Mid (pH 6-8) -0.19 7.76 -97.27 4 4 2 52 289.423 5

Activity (Go SEA)

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