UCSF

ZINC34821180

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 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) -0.31 3.37 -13.68 3 9 0 129 423.404 4
Hi High (pH 8-9.5) -0.31 2.91 -42.36 2 9 -1 128 422.396 4

Activity (Go SEA)

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