UCSF

ZINC23248740

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 26 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) 1.91 3.63 -10.91 2 6 0 65 364.534 6
Lo Low (pH 4.5-6) 1.91 8.02 -108.52 4 6 2 67 366.55 6

Activity (Go SEA)

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