UCSF

ZINC42810079

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 0.29 -0.39 -62.42 2 6 0 87 277.371 5
Hi High (pH 8-9.5) 0.29 -1.81 -43.9 1 6 -1 82 276.363 5
Mid Mid (pH 6-8) 1.21 0.1 -60.14 3 6 1 88 278.379 4
Mid Mid (pH 6-8) 1.21 -1.29 -13.16 2 6 0 84 277.371 4

Activity (Go SEA)

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