UCSF

ZINC18941232

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2008 23 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) 3.74 7.81 -11.02 2 4 0 54 333.432 4
Lo Low (pH 4.5-6) 4.26 5.28 -28.37 3 4 1 59 334.44 4
Lo Low (pH 4.5-6) 3.74 8.25 -32.83 3 4 1 55 334.44 4

Activity (Go SEA)

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