UCSF

ZINC16778910

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 38 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) 1.20 9.76 -62.53 6 10 0 172 518.57 14
Hi High (pH 8-9.5) 1.20 8.63 -78.76 5 10 -1 167 517.562 14

Activity (Go SEA)

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