UCSF

ZINC47033095

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2010 23 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) 3.01 5.79 -13.01 1 5 0 59 334.441 8
Lo Low (pH 4.5-6) 3.01 6.23 -70.28 2 5 0 60 335.449 8

Activity (Go SEA)

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