UCSF

ZINC39897931

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 28 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) 4.05 4.59 -14.08 3 6 0 89 438.698 4
Mid Mid (pH 6-8) 4.05 5.36 -48.96 2 6 -1 92 437.69 4

Activity (Go SEA)

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