UCSF

ZINC49737692

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 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) 3.30 8.44 -42.84 2 4 1 37 332.512 8
Hi High (pH 8-9.5) 3.30 7.18 -6.38 1 4 0 36 331.504 8
Mid Mid (pH 6-8) 3.30 9 -40.71 2 4 1 37 332.512 8

Activity (Go SEA)

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