UCSF

ZINC75635219

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2012 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) 2.47 6.16 -36.48 2 5 1 46 320.457 6
Hi High (pH 8-9.5) 2.47 3.96 -9.08 1 5 0 45 319.449 6

Activity (Go SEA)

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