UCSF

ZINC31975500

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 4.19 9.83 -61.2 3 3 1 45 300.385 3
Hi High (pH 8-9.5) 4.19 9.53 -12.69 2 3 0 43 299.377 3
Lo Low (pH 4.5-6) 4.19 10.25 -109.51 4 3 2 46 301.393 3

Activity (Go SEA)

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