UCSF

ZINC05499983

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 27 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) 2.45 7.4 -12.76 1 6 0 81 362.385 1
Lo Low (pH 4.5-6) 2.45 7.65 -41.14 2 6 1 83 363.393 1

Activity (Go SEA)

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