UCSF

ZINC13475758

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 33 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) 3.91 12.7 -13.52 0 6 0 81 443.499 2
Ref Reference (pH 7) 3.91 11.46 -9.75 0 6 0 81 443.499 2

Activity (Go SEA)

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