UCSF

ZINC36889743

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 Yes

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) 2.26 7.98 -12.12 2 4 0 57 258.712 2
Mid Mid (pH 6-8) 2.26 8.45 -36.47 3 4 1 58 259.72 2

Activity (Go SEA)

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