UCSF

ZINC39963815

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 24 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) 5.71 10.17 -10.86 1 4 0 51 340.81 5
Mid Mid (pH 6-8) 5.71 10.56 -34.42 2 4 1 52 341.818 5

Activity (Go SEA)

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