UCSF

ZINC55268978

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 3.21 6.22 -7.15 0 4 0 41 322.474 4
Mid Mid (pH 6-8) 3.21 8.43 -44.31 1 4 1 42 323.482 4

Activity (Go SEA)

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