UCSF

ZINC04406831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2005 25 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) 3.88 9.51 -16.44 2 4 0 54 349.459 5
Lo Low (pH 4.5-6) 3.88 9.86 -35.85 3 4 1 55 350.467 5

Activity (Go SEA)

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