UCSF

ZINC45518877

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2010 21 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) 2.73 9.74 -46.43 1 4 1 34 291.415 4
Mid Mid (pH 6-8) 2.73 7.59 -11 0 4 0 33 290.407 4

Activity (Go SEA)

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