UCSF

ZINC47628483

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2010 22 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) 1.14 4.01 -55.78 4 6 1 90 323.373 6
Mid Mid (pH 6-8) 1.14 1.81 -19.65 3 6 0 88 322.365 6

Activity (Go SEA)

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