UCSF

ZINC41197297

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 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) 3.03 6.37 -34.5 2 3 1 29 294.488 4
Lo Low (pH 4.5-6) 3.03 7.21 -104.09 3 3 2 34 295.496 4

Activity (Go SEA)

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