UCSF

ZINC45072417

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.16 6.11 -107.49 3 2 2 21 174.332 5
Mid Mid (pH 6-8) 2.16 4.96 -28.2 2 2 1 16 173.324 5
Mid Mid (pH 6-8) 2.16 4.85 -31.72 2 2 1 20 173.324 5

Activity (Go SEA)

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