UCSF

ZINC31917506

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) -0.93 4.43 -104.75 4 6 2 71 309.41 6
Hi High (pH 8-9.5) -0.93 4.16 -40.8 3 6 1 69 308.402 6
Hi High (pH 8-9.5) -0.93 1.9 -53.33 3 6 1 70 308.402 6
Hi High (pH 8-9.5) -0.93 1.62 -6.11 2 6 0 68 307.394 6

Activity (Go SEA)

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