UCSF

ZINC37787482

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 4.12 8.89 -6.5 1 3 0 30 336.277 4
Lo Low (pH 4.5-6) 4.12 9.02 -26.33 2 3 1 31 337.285 4

Activity (Go SEA)

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