UCSF

ZINC49737647

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 23 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) 2.83 7.27 -41.16 2 4 1 37 322.448 6
Hi High (pH 8-9.5) 2.83 4.91 -10.62 1 4 0 36 321.44 6
Mid Mid (pH 6-8) 2.83 6.8 -47.03 2 4 1 37 322.448 6

Activity (Go SEA)

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