UCSF

ZINC06755209

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 24 No

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) 3.72 7.67 -42.14 1 4 -1 56 336.44 4
Lo Low (pH 4.5-6) 3.53 9.09 -9.74 2 4 0 61 337.448 4
Lo Low (pH 4.5-6) 3.72 8.48 -34.58 3 4 1 55 338.456 4

Activity (Go SEA)

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