UCSF

ZINC04352969

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 15 No

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) 4.26 2.2 -5.56 0 2 0 26 232.389 11
Hi High (pH 8-9.5) 4.26 1.25 -47.28 0 2 -1 26 231.381 11

Activity (Go SEA)

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