UCSF

ZINC09122184

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 29 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) 4.23 11.04 -54.61 0 5 -1 73 423.901 4
Mid Mid (pH 6-8) 4.67 11.02 -21.74 1 5 0 71 424.909 3

Activity (Go SEA)

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