UCSF

ZINC23247794

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 25 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) 1.68 6.04 -43.56 1 6 1 48 344.435 8
Hi High (pH 8-9.5) 1.68 3.98 -9.32 0 6 0 47 343.427 8
Mid Mid (pH 6-8) 1.68 6.39 -44.53 1 6 1 48 344.435 8
Mid Mid (pH 6-8) 1.68 6.35 -99.34 2 6 2 50 345.443 8

Activity (Go SEA)

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