UCSF

ZINC38399770

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2010 32 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) 7.46 15.76 -8.17 1 3 0 38 441.644 10
Lo Low (pH 4.5-6) 7.46 16.23 -36.73 2 3 1 39 442.652 10

Activity (Go SEA)

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