UCSF

ZINC36673596

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 17 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) 2.39 4.75 -41.11 2 3 1 35 234.319 1
Hi High (pH 8-9.5) 2.39 3.53 -4.87 1 3 0 30 233.311 1

Activity (Go SEA)

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