UCSF

ZINC35017716

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 30 No

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) -0.14 4.45 -91.63 2 9 0 115 417.441 4
Hi High (pH 8-9.5) -0.14 4.16 -52.17 1 9 -1 114 416.433 4
Mid Mid (pH 6-8) -0.14 3.81 -64.88 3 9 1 112 418.449 4
Lo Low (pH 4.5-6) -0.14 5.83 -104.78 4 9 2 114 419.457 4

Activity (Go SEA)

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