UCSF

ZINC36783470

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.50 6.66 -120.93 4 3 2 41 286.366 7
Hi High (pH 8-9.5) 2.50 6.64 -31.3 3 3 1 40 285.358 7
Mid Mid (pH 6-8) 2.50 5.31 -46.67 3 3 1 40 285.358 7

Activity (Go SEA)

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