UCSF

ZINC60247466

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 14 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) 0.98 5.62 -42.75 1 3 1 25 197.302 0
Hi High (pH 8-9.5) 0.98 3.26 -6.84 0 3 0 24 196.294 0

Activity (Go SEA)

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