UCSF

ZINC44516458

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 0.23 6.88 -80.41 3 5 2 41 298.475 5
Mid Mid (pH 6-8) 0.23 5.75 -101.01 3 5 2 45 298.475 5
Lo Low (pH 4.5-6) 0.23 7.94 -180.1 4 5 3 46 299.483 5

Activity (Go SEA)

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