UCSF

ZINC46503350

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.20 4.8 -40.5 2 5 1 54 244.359 8
Hi High (pH 8-9.5) 0.20 2.54 -10.88 1 5 0 53 243.351 8

Activity (Go SEA)

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