UCSF

ZINC43395711

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 No

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) -0.41 1.49 -120.22 4 5 2 79 257.359 2
Hi High (pH 8-9.5) -0.41 0.76 -11.13 2 5 0 76 255.343 2
Mid Mid (pH 6-8) -0.41 1.07 -58.94 3 5 1 78 256.351 2

Activity (Go SEA)

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