UCSF

ZINC02291810

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.13 1.59 -1.46 1 1 0 12 229.367 2
Ref Reference (pH 7) 5.13 8.95 -1.46 1 1 0 12 229.367 2
Lo Low (pH 4.5-6) 5.13 8.92 -30.26 2 1 1 17 230.375 2

Activity (Go SEA)

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