UCSF

ZINC36273395

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 24 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) 2.10 7.15 -43.85 3 6 1 66 327.408 5
Hi High (pH 8-9.5) 2.10 6.12 -12.9 2 6 0 65 326.4 5
Mid Mid (pH 6-8) 2.10 5.21 -29.77 3 6 1 66 327.408 5
Mid Mid (pH 6-8) 2.10 7.67 -93.96 4 6 2 67 328.416 5

Activity (Go SEA)

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