UCSF

ZINC44725336

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) -0.93 0.75 -64.4 4 6 1 84 277.414 7
Hi High (pH 8-9.5) -0.93 -1.57 -49.37 4 6 1 80 277.414 7
Mid Mid (pH 6-8) -0.93 0.82 -97.94 5 6 2 81 278.422 7

Activity (Go SEA)

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