UCSF

ZINC23100462

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.06 -1.45 -49.13 3 8 -1 130 287.255 5
Lo Low (pH 4.5-6) -0.40 -0.63 -24.29 4 8 0 127 288.263 5

Activity (Go SEA)

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