UCSF

ZINC00524884

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 No

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) 2.58 2.67 -53.17 0 5 -1 82 319.337 4
Lo Low (pH 4.5-6) 2.06 4.66 -17.14 1 5 0 76 320.345 4

Activity (Go SEA)

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