UCSF

ZINC04509428

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 27 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) 4.66 11.84 -16.46 1 4 0 45 383.492 7
Lo Low (pH 4.5-6) 4.66 12.17 -33.21 2 4 1 46 384.5 7

Activity (Go SEA)

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