UCSF

ZINC39761695

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 34 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) 5.64 14.59 -19.52 1 7 0 86 492.674 8
Hi High (pH 8-9.5) 5.83 13.06 -51.58 0 7 -1 92 491.666 8

Activity (Go SEA)

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