UCSF

ZINC34625660

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 1.66 9.33 -49.44 0 4 -1 66 247.27 5
Lo Low (pH 4.5-6) 1.66 7.63 -11.3 1 4 0 64 248.278 5

Activity (Go SEA)

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