UCSF

ZINC57815579

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 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) 1.58 8.28 -47.94 2 6 1 63 348.496 4
Mid Mid (pH 6-8) 1.58 6.06 -10.33 1 6 0 61 347.488 4

Activity (Go SEA)

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