UCSF

ZINC31975649

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) 1.83 7.43 -73.65 3 5 1 65 307.377 2
Hi High (pH 8-9.5) 1.83 7.09 -21.09 2 5 0 64 306.369 2
Lo Low (pH 4.5-6) 1.83 7.85 -118.69 4 5 2 67 308.385 2

Activity (Go SEA)

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