UCSF

ZINC55669209

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 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) 0.86 7.35 -45.85 2 5 1 54 302.398 4
Mid Mid (pH 6-8) 0.86 5.16 -14.34 1 5 0 53 301.39 4

Activity (Go SEA)

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