UCSF

ZINC31947529

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 1.04 6.79 -68.26 4 6 1 88 305.383 5
Hi High (pH 8-9.5) 1.04 6.42 -16.85 3 6 0 86 304.375 5

Activity (Go SEA)

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