UCSF

ZINC09997788

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2007 18 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) 2.36 6.26 -37.31 2 4 1 46 268.406 3
Hi High (pH 8-9.5) 2.36 4.34 -8.13 1 4 0 45 267.398 3

Activity (Go SEA)

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