UCSF

ZINC00155723

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 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) 3.61 8.28 -12.5 1 4 0 45 324.211 4
Lo Low (pH 4.5-6) 3.61 8.64 -37.73 2 4 1 46 325.219 4

Activity (Go SEA)

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