UCSF

ZINC35889725

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 Yes

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) 4.57 13.19 -35.08 1 6 1 60 431.56 5
Mid Mid (pH 6-8) 4.57 12.88 -11.85 0 6 0 59 430.552 5

Activity (Go SEA)

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