UCSF

ZINC45658794

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 1.11 3.12 -113.1 4 4 2 45 271.449 4
Hi High (pH 8-9.5) 1.11 2.99 -34.72 3 4 1 43 270.441 4
Hi High (pH 8-9.5) 1.11 0.65 -42.04 3 4 1 43 270.441 4

Activity (Go SEA)

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