UCSF

ZINC69846160

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 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) 2.39 5.51 -7.28 0 4 0 52 237.262 3
Lo Low (pH 4.5-6) 2.39 5.97 -43.05 1 4 1 53 238.27 3

Activity (Go SEA)

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