UCSF

ZINC19411129

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 17 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) 0.94 7.22 -19.3 0 4 0 47 235.283 5
Hi High (pH 8-9.5) 1.68 7.16 -49.73 0 4 -1 53 234.275 4

Activity (Go SEA)

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