UCSF

ZINC37050073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 0.76 2.79 -86.59 5 4 2 56 279.428 5
Hi High (pH 8-9.5) 0.76 2.39 -36.57 4 4 1 54 278.42 5
Lo Low (pH 4.5-6) 0.76 5.13 -162.35 6 4 3 57 280.436 5

Activity (Go SEA)

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