UCSF

ZINC34671693

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 34 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) 5.71 14.38 -13.11 1 4 0 42 454.614 8
Lo Low (pH 4.5-6) 5.71 16.21 -42.7 2 4 1 43 455.622 8

Activity (Go SEA)

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