UCSF

ZINC37042521

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) -0.17 1.84 -59.85 2 8 -1 125 315.327 8
Hi High (pH 8-9.5) -0.17 1.88 -117.89 1 8 -2 127 314.319 8

Activity (Go SEA)

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