UCSF

ZINC44659026

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) -0.48 2.02 -45.01 2 5 1 49 244.359 7
Hi High (pH 8-9.5) -0.48 0.66 -8.25 1 5 0 45 243.351 7
Mid Mid (pH 6-8) -0.48 4.36 -100.81 3 5 2 51 245.367 7

Activity (Go SEA)

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