UCSF

ZINC39899861

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.93 12.61 -11.52 0 4 0 36 392.886 7
Lo Low (pH 4.5-6) 5.93 13.27 -30.64 1 4 1 38 393.894 7

Activity (Go SEA)

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