UCSF

ZINC19359603

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 22 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) 4.48 10.28 -36.98 1 2 1 8 319.538 4
Hi High (pH 8-9.5) 4.48 7.98 -2.65 0 2 0 6 318.53 4

Activity (Go SEA)

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