UCSF

ZINC30539341

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.53 5.74 -9.47 1 4 0 44 351.233 2
Mid Mid (pH 6-8) 3.53 6.4 -40.62 0 4 -1 47 350.225 2

Activity (Go SEA)

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