UCSF

ZINC60698446

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 15 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) 0.21 4.05 -51.23 3 2 1 37 216.251 5
Hi High (pH 8-9.5) 0.21 3.7 -3.86 2 2 0 35 215.243 5

Activity (Go SEA)

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