UCSF

ZINC38236567

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 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) 1.11 5.22 -106.82 4 3 2 46 227.311 2
Mid Mid (pH 6-8) 1.11 4.24 -29.14 3 3 1 42 226.303 2

Activity (Go SEA)

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