UCSF

ZINC42689552

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 17 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) 1.49 5.23 -87.14 4 3 2 35 243.439 8
Lo Low (pH 4.5-6) 1.49 7.49 -158.95 5 3 3 37 244.447 8
Lo Low (pH 4.5-6) 1.49 5.02 -80.23 4 3 2 35 243.439 8

Activity (Go SEA)

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