UCSF

ZINC45821920

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 22 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) 3.23 5.51 -34.41 2 4 1 37 348.294 6
Hi High (pH 8-9.5) 3.23 3.28 -6.02 1 4 0 36 347.286 6

Activity (Go SEA)

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