UCSF

ZINC13778500

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 35 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) 4.93 13.31 -15.22 0 7 0 68 472.541 8
Ref Reference (pH 7) 4.93 13.39 -8.9 0 7 0 68 472.541 8

Activity (Go SEA)

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