UCSF

ZINC42563419

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 3.63 8.4 -125.81 4 2 2 32 264.457 7
Hi High (pH 8-9.5) 3.63 8.02 -29.5 3 2 1 30 263.449 7
Hi High (pH 8-9.5) 3.63 7.32 -41.33 3 2 1 31 263.449 7

Activity (Go SEA)

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