UCSF

ZINC08296838

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2006 19 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) 1.86 6.6 -17.59 1 4 0 45 273.361 3
Lo Low (pH 4.5-6) 1.86 6.95 -29.09 2 4 1 46 274.369 3

Activity (Go SEA)

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