UCSF

ZINC01110702

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 29 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) 5.43 -3.2 -17 2 5 0 75 428.941 5
Hi High (pH 8-9.5) 5.43 -2.62 -52.63 1 5 -1 77 427.933 5

Activity (Go SEA)

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