UCSF

ZINC35648100

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 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) 2.40 5.94 -5.55 1 3 0 34 256.349 6
Mid Mid (pH 6-8) 2.40 7.13 -44.9 2 3 1 39 257.357 6
Lo Low (pH 4.5-6) 2.40 6.4 -32.76 2 3 1 35 257.357 6

Activity (Go SEA)

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