UCSF

ZINC37859284

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 21 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) 2.05 3.91 -14 1 5 0 70 330.406 5
Mid Mid (pH 6-8) 2.51 1.69 -46.23 0 5 -1 73 329.398 5

Activity (Go SEA)

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