UCSF

ZINC17207063

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 35 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) 2.38 6.19 -60.47 0 9 -1 116 499.565 11
Mid Mid (pH 6-8) 2.82 6.67 -19.36 1 9 0 113 500.573 10

Activity (Go SEA)

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