UCSF

ZINC47303664

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 25 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) 1.46 6.95 -47.91 2 5 1 50 339.463 6
Mid Mid (pH 6-8) 1.46 6.82 -50.14 2 5 1 50 339.463 6
Mid Mid (pH 6-8) 1.46 4.57 -13.09 1 5 0 48 338.455 6
Lo Low (pH 4.5-6) 1.46 7.3 -83.2 3 5 2 51 340.471 6

Activity (Go SEA)

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