UCSF

ZINC45966786

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 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) 0.66 6.43 -39.62 2 8 1 76 433.573 9
Mid Mid (pH 6-8) 0.66 7.72 -90.91 3 8 2 80 434.581 9

Activity (Go SEA)

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