UCSF

ZINC39898655

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 31 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) 5.54 10.04 -38.11 1 6 -1 81 436.919 8
Mid Mid (pH 6-8) 5.54 9.27 -13.32 2 6 0 78 437.927 8
Mid Mid (pH 6-8) 5.54 9.08 -10.53 2 6 0 78 437.927 8

Activity (Go SEA)

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