UCSF

ZINC40308508

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.19 5.33 -6.83 3 3 0 55 266.41 4
Lo Low (pH 4.5-6) 3.19 5.16 -34.45 4 3 1 57 267.418 4

Activity (Go SEA)

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