UCSF

ZINC08606335

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2007 32 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) 5.25 12.06 -16.58 0 6 0 55 432.52 9
Lo Low (pH 4.5-6) 5.25 12.84 -34.76 1 6 1 56 433.528 9

Activity (Go SEA)

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