UCSF

ZINC30822689

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 32 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) 4.39 9.91 -16.66 0 6 0 61 429.472 5
Mid Mid (pH 6-8) 4.39 12.83 -50.64 1 6 1 62 430.48 5

Activity (Go SEA)

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