UCSF

ZINC19907434

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.95 6.88 -35 2 3 0 49 291.778 6
Hi High (pH 8-9.5) 3.95 5.39 -41.51 1 3 -1 44 290.77 6
Mid Mid (pH 6-8) 3.95 4.6 -8.3 2 3 0 41 291.778 6
Mid Mid (pH 6-8) 3.95 6.1 -47.56 3 3 1 46 292.786 6

Activity (Go SEA)

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