UCSF

ZINC34676316

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) 1.16 9.11 -21.09 0 9 0 82 466.586 7
Mid Mid (pH 6-8) 1.16 11.47 -54.16 1 9 1 83 467.594 7

Activity (Go SEA)

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