UCSF

ZINC41587092

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 3.00 5.7 -13.55 0 9 0 83 510.587 8
Mid Mid (pH 6-8) 3.00 8.54 -58.43 1 9 1 84 511.595 8
Mid Mid (pH 6-8) 3.00 7.97 -51.71 1 9 1 84 511.595 8
Lo Low (pH 4.5-6) 3.00 10.81 -132.43 2 9 2 85 512.603 8

Activity (Go SEA)

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