UCSF

ZINC45703328

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) -0.81 3.06 -47.19 2 6 1 66 258.342 7
Hi High (pH 8-9.5) -0.81 1.7 -9.33 1 6 0 62 257.334 7
Mid Mid (pH 6-8) -0.81 4.06 -45.52 2 6 1 63 258.342 7
Mid Mid (pH 6-8) -0.81 5.41 -102.74 3 6 2 68 259.35 7

Activity (Go SEA)

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