UCSF

ZINC34889234

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 34 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) 5.06 10.57 -42.84 0 6 -1 90 486.96 5
Mid Mid (pH 6-8) 4.88 11.98 -11.05 1 6 0 84 487.968 5

Activity (Go SEA)

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