UCSF

ZINC31995403

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 4.58 12.35 -106.11 3 2 2 21 322.496 5
Hi High (pH 8-9.5) 4.58 10.93 -39.35 2 2 1 16 321.488 5
Hi High (pH 8-9.5) 4.58 9.85 -42.67 2 2 1 20 321.488 5

Activity (Go SEA)

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