UCSF

ZINC37001616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 0.13 3.84 -85.44 4 4 2 50 225.336 2
Hi High (pH 8-9.5) 0.32 2.52 -54.08 3 4 1 56 224.328 2

Activity (Go SEA)

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