UCSF

ZINC09333935

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 36 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) 6.93 14.58 -54.85 0 5 -1 73 499.587 5
Mid Mid (pH 6-8) 7.37 14.57 -19.07 1 5 0 71 500.595 4

Activity (Go SEA)

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