UCSF

ZINC41420311

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 23 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) 2.28 7.58 -38.93 2 4 1 46 334.44 5
Hi High (pH 8-9.5) 2.28 5.36 -8.16 1 4 0 45 333.432 5

Activity (Go SEA)

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