UCSF

ZINC43505739

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 23 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) 1.21 6.3 -22.75 2 6 0 78 312.373 3
Lo Low (pH 4.5-6) 1.21 6.79 -49.86 3 6 1 79 313.381 3
Lo Low (pH 4.5-6) 1.21 6.32 -18.81 2 6 0 78 312.373 3

Activity (Go SEA)

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