UCSF

ZINC49737406

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.29 7.27 -37.28 2 5 1 74 350.508 7
Hi High (pH 8-9.5) 3.29 7.65 -33.36 1 5 0 76 349.5 7
Hi High (pH 8-9.5) 3.29 5.58 -11.13 1 5 0 73 349.5 7

Activity (Go SEA)

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