UCSF

ZINC34462605

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 25 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) 6.42 12.08 -5.78 1 2 0 21 329.443 5
Lo Low (pH 4.5-6) 6.42 12.36 -44.36 2 2 1 26 330.451 5

Activity (Go SEA)

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