UCSF

ZINC04140772

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 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) 5.04 -0.19 -9.87 1 2 0 33 275.351 3
Lo Low (pH 4.5-6) 5.04 0.03 -29.06 2 2 1 34 276.359 3

Activity (Go SEA)

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