UCSF

ZINC12022428

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 28 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) 4.05 11.5 -41.65 1 4 1 40 394.413 6
Hi High (pH 8-9.5) 4.05 9.27 -12.24 0 4 0 39 393.405 6

Activity (Go SEA)

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