UCSF

ZINC09462278

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 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) 3.10 9.61 -54.83 0 10 -1 127 489.46 7
Lo Low (pH 4.5-6) 3.10 8.72 -16.06 1 10 0 124 490.468 7

Activity (Go SEA)

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