UCSF

ZINC29484764

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 22 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) -0.99 -0.52 -44.28 6 7 1 118 305.358 6
Hi High (pH 8-9.5) -0.99 -1.88 -13.3 5 7 0 113 304.35 6

Activity (Go SEA)

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