UCSF

ZINC08859471

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 35 No

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) 1.45 -1.28 -52.3 2 9 1 102 502.613 9
Mid Mid (pH 6-8) 0.87 -1.06 -63.34 1 9 1 99 502.613 9

Activity (Go SEA)

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