UCSF

ZINC00593094

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 30 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) 3.00 -3.29 -20.74 3 7 0 103 398.422 4
Mid Mid (pH 6-8) 3.00 -3.09 -43.34 4 7 1 104 399.43 4
Lo Low (pH 4.5-6) 3.00 -3.02 -103.94 5 7 2 105 400.438 4
Lo Low (pH 4.5-6) 3.00 -3.23 -38.9 4 7 1 104 399.43 4

Activity (Go SEA)

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