UCSF

ZINC36638096

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 37 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) 5.44 14.11 -30.32 1 8 1 86 516.599 7
Hi High (pH 8-9.5) 5.44 11.89 -15.18 0 8 0 85 515.591 7

Activity (Go SEA)

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