UCSF

ZINC37857898

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 30 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) 4.76 9.6 -43.31 2 6 1 73 430.908 6
Mid Mid (pH 6-8) 4.76 10.16 -28.67 1 6 0 76 429.9 6

Activity (Go SEA)

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