UCSF

ZINC13803645

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 38 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) 4.88 12.14 -12.69 0 8 0 78 516.594 10
Ref Reference (pH 7) 4.88 12.31 -17.12 0 8 0 78 516.594 10

Activity (Go SEA)

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