UCSF

ZINC39159860

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2010 31 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) 0.25 4.63 -36.45 3 9 -1 126 458.545 7
Mid Mid (pH 6-8) 0.25 5.09 -52.68 4 9 0 128 459.553 7

Activity (Go SEA)

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