UCSF

ZINC04732781

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 23 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) 1.29 1.93 -16.14 3 7 0 112 396.222 3
Hi High (pH 8-9.5) 1.29 2 -37.26 2 7 -1 114 395.214 3

Activity (Go SEA)

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