UCSF

ZINC37046492

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.47 0.09 -59.43 3 7 -1 129 303.341 7
Hi High (pH 8-9.5) -0.47 0.13 -124.64 2 7 -2 131 302.333 7

Activity (Go SEA)

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