UCSF

ZINC13571529

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 39 No

Download: MOL2 SDF SMILES Flexibase

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) 3.80 8.36 -65.31 1 8 -1 102 527.597 9
Mid Mid (pH 6-8) 3.80 10.69 -75.82 2 8 0 104 528.605 9

Activity (Go SEA)

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