UCSF

ZINC31544734

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -4.99 -8.19 -331.88 7 16 -3 289 474.165 10
Mid Mid (pH 6-8) -4.99 -7.04 -489.53 6 16 -4 292 473.157 10
Mid Mid (pH 6-8) -4.99 -8.19 -329.41 7 16 -3 289 474.165 10
Lo Low (pH 4.5-6) -4.99 -9.34 -199.78 8 16 -2 286 475.173 10

Activity (Go SEA)

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