UCSF

ZINC39916644

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 22 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) 2.75 8.15 -47.55 1 5 1 56 305.398 5
Mid Mid (pH 6-8) 2.75 6.53 -9.11 0 5 0 55 304.39 5

Activity (Go SEA)

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