UCSF

ZINC37372094

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 0.57 3.36 -53.01 3 5 1 76 263.317 6
Hi High (pH 8-9.5) 0.57 1.95 -12.51 2 5 0 71 262.309 6

Activity (Go SEA)

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