UCSF

ZINC35656126

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 26 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) 2.35 6.51 -19.35 1 6 0 85 404.494 5
Mid Mid (pH 6-8) 2.35 7.43 -61.36 0 6 -1 87 403.486 5

Activity (Go SEA)

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