UCSF

ZINC27131718

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 19 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) 4.18 8.36 -34.62 2 3 1 34 283.823 5
Hi High (pH 8-9.5) 4.18 6.66 -6.93 1 3 0 32 282.815 5

Activity (Go SEA)

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