UCSF

ZINC06016459

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2006 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) 2.92 10.16 -63.8 0 10 -1 131 511.532 9
Lo Low (pH 4.5-6) 2.92 9.28 -20.49 1 10 0 128 512.54 9

Activity (Go SEA)

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