UCSF

ZINC41658857

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 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) 1.43 3.33 -9.81 0 7 0 68 393.443 4
Mid Mid (pH 6-8) 1.43 5.6 -49.25 1 7 1 69 394.451 4
Lo Low (pH 4.5-6) 1.43 6.08 -99.49 2 7 2 70 395.459 4

Activity (Go SEA)

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