UCSF

ZINC35282189

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 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) 3.59 10.62 -63.23 0 4 -1 60 294.415 3
Lo Low (pH 4.5-6) 3.59 8.88 -12.53 1 4 0 58 295.423 3

Activity (Go SEA)

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