UCSF

ZINC34686989

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 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) 3.70 6.05 -10.2 1 5 0 51 371.477 8
Lo Low (pH 4.5-6) 3.70 8.36 -48.1 2 5 1 52 372.485 8

Activity (Go SEA)

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