UCSF

ZINC57801263

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 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) 4.14 9.46 -44.89 2 4 1 44 342.459 7
Hi High (pH 8-9.5) 4.14 8.48 -7.02 1 4 0 40 341.451 7

Activity (Go SEA)

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