UCSF

ZINC35894307

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 28 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) 1.15 3.85 -14.98 1 9 0 100 390.44 5
Mid Mid (pH 6-8) 1.15 6.12 -50.97 2 9 1 101 391.448 5

Activity (Go SEA)

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