UCSF

ZINC12539212

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 26 Yes

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) 3.68 10.63 -21.74 3 6 0 81 364.409 2
Mid Mid (pH 6-8) 3.68 11.14 -39.48 4 6 1 83 365.417 2

Activity (Go SEA)

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