UCSF

ZINC49525115

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 15 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) 3.32 6.85 -6.91 1 2 0 25 218.325 3
Lo Low (pH 4.5-6) 3.32 7.21 -24.29 2 2 1 26 219.333 3

Activity (Go SEA)

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