UCSF

ZINC48314170

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 20 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) 3.13 4.31 -3.24 1 3 0 36 274.408 4
Mid Mid (pH 6-8) 2.94 7.02 -7.08 1 3 0 32 274.408 4
Lo Low (pH 4.5-6) 2.94 9.24 -34.12 2 3 1 34 275.416 4

Activity (Go SEA)

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