UCSF

ZINC02782641

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 18 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) 2.64 6.34 -11.78 1 3 0 30 249.264 2
Lo Low (pH 4.5-6) 2.64 6.49 -29.5 2 3 1 31 250.272 2

Activity (Go SEA)

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