UCSF

ZINC19885344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 19 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) 3.07 8.56 -43.09 2 3 1 43 254.309 4
Mid Mid (pH 6-8) 3.07 7.27 -9.05 1 3 0 38 253.301 4

Activity (Go SEA)

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