UCSF

ZINC55668316

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 17 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) 0.80 6.9 -49.8 1 4 1 34 239.339 3
Mid Mid (pH 6-8) 0.80 4.69 -10.97 0 4 0 33 238.331 3

Activity (Go SEA)

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