UCSF

ZINC39557545

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 34 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) 4.93 12.9 -19.81 1 7 0 80 451.53 6
Mid Mid (pH 6-8) 4.93 13.28 -32.78 2 7 1 81 452.538 6

Activity (Go SEA)

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