UCSF

ZINC01149587

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 24 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) 5.58 13.48 -9.66 0 2 0 18 312.416 4
Lo Low (pH 4.5-6) 5.58 14.02 -29.56 1 2 1 19 313.424 4

Activity (Go SEA)

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