UCSF

ZINC37857853

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 32 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) 2.83 6.91 -11.42 0 7 0 74 430.46 5
Mid Mid (pH 6-8) 2.83 9.76 -52.49 1 7 1 75 431.468 5

Activity (Go SEA)

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