UCSF

ZINC55268951

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 24 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) 2.06 5.79 -13.79 0 6 0 71 348.424 4
Mid Mid (pH 6-8) 2.06 8.01 -56.04 1 6 1 72 349.432 4

Activity (Go SEA)

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