UCSF

ZINC55307299

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 21 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) 2.27 9.3 -36.21 1 4 1 34 295.378 7
Hi High (pH 8-9.5) 2.27 6.92 -15.27 0 4 0 33 294.37 7

Activity (Go SEA)

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