UCSF

ZINC39305175

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 1.19 7.58 -18.7 2 9 0 111 385.424 4
Mid Mid (pH 6-8) 1.19 7.87 -33.37 3 9 1 112 386.432 4

Activity (Go SEA)

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