UCSF

ZINC41584763

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 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) 4.71 12.75 -58.33 2 6 1 77 510.397 3
Hi High (pH 8-9.5) 4.71 11.18 -44.44 0 6 -1 79 508.381 3
Mid Mid (pH 6-8) 4.71 13.33 -33.7 1 6 0 80 509.389 3
Mid Mid (pH 6-8) 4.71 10.61 -21.42 1 6 0 76 509.389 3

Activity (Go SEA)

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