UCSF

ZINC39900097

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 31 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) 6.94 14.81 -13.6 0 4 0 36 434.967 9
Lo Low (pH 4.5-6) 6.94 15.46 -30.44 1 4 1 38 435.975 9

Activity (Go SEA)

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