UCSF

ZINC39030941

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 25 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) 4.16 8.93 -40.63 0 5 -1 70 364.849 5
Mid Mid (pH 6-8) 3.42 11.7 -21.28 0 5 0 64 365.857 6

Activity (Go SEA)

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