UCSF

ZINC13788213

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 28 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) 5.48 6.73 -10.07 2 5 0 75 428.819 4
Hi High (pH 8-9.5) 5.94 4.96 -38.62 1 5 -1 78 427.811 4

Activity (Go SEA)

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