UCSF

ZINC34547430

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) 1.46 1.56 -54.26 6 7 1 104 397.927 5
Lo Low (pH 4.5-6) 1.46 3.79 -128.93 7 7 2 106 398.935 5

Activity (Go SEA)

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