UCSF

ZINC45692353

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 2.08 5.99 -41.79 2 5 1 49 286.44 8
Hi High (pH 8-9.5) 2.08 5.05 -5.03 1 5 0 45 285.432 8
Mid Mid (pH 6-8) 2.08 7.74 -120.7 3 5 2 51 287.448 8
Mid Mid (pH 6-8) 2.08 6.54 -38.12 2 5 1 46 286.44 8

Activity (Go SEA)

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