UCSF

ZINC37854550

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.25 -1.82 -42.03 3 5 1 53 258.386 5
Mid Mid (pH 6-8) -0.25 0.49 -108.2 4 5 2 54 259.394 5
Lo Low (pH 4.5-6) -0.25 2.87 -185.81 5 5 3 55 260.402 5

Activity (Go SEA)

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