UCSF

ZINC36790376

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 2.61 6.37 -116.08 4 2 2 32 240.366 6
Hi High (pH 8-9.5) 2.61 5.99 -31.42 3 2 1 30 239.358 6
Mid Mid (pH 6-8) 2.61 4.9 -41.09 3 2 1 31 239.358 6

Activity (Go SEA)

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