UCSF

ZINC36273167

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 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) 4.14 10.3 -38.43 3 5 1 57 353.49 8
Hi High (pH 8-9.5) 4.14 8.18 -9.73 2 5 0 56 352.482 8
Mid Mid (pH 6-8) 4.14 10.03 -25.05 3 5 1 57 353.49 8
Mid Mid (pH 6-8) 4.14 10.81 -85.57 4 5 2 58 354.498 8

Activity (Go SEA)

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