UCSF

ZINC01201628

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 32 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) 1.66 4.54 -49.37 0 10 -1 129 439.4 8
Lo Low (pH 4.5-6) 1.20 6.97 -18.31 1 10 0 126 440.408 8

Activity (Go SEA)

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