UCSF

ZINC41456354

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 22 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) 3.14 8.66 -8.8 1 3 0 42 288.35 4
Mid Mid (pH 6-8) 3.14 9.55 -32.23 2 3 1 43 289.358 4

Activity (Go SEA)

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