UCSF

ZINC39914746

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 37 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) 7.12 12.4 -10.25 2 6 0 78 516.041 8
Mid Mid (pH 6-8) 7.12 13.17 -47.73 1 6 -1 81 515.033 8

Activity (Go SEA)

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