UCSF

ZINC43008476

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 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) 1.29 7.99 -46.87 2 7 1 74 365.498 4
Mid Mid (pH 6-8) 1.29 6.07 -12.57 1 7 0 73 364.49 4

Activity (Go SEA)

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