UCSF

ZINC37857871

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 27 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) 3.62 8.82 -12.12 0 5 0 56 379.437 3
Mid Mid (pH 6-8) 3.62 11.67 -49.02 1 5 1 57 380.445 3

Activity (Go SEA)

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