UCSF

ZINC01877651

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 26 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) 2.89 4.9 -22.29 3 7 0 100 420.263 7
Hi High (pH 8-9.5) 2.89 5.34 -62.36 2 7 -1 103 419.255 7

Activity (Go SEA)

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