UCSF

ZINC39914427

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 31 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) 6.63 11.06 -9.29 2 5 0 69 437.971 7
Mid Mid (pH 6-8) 6.63 11.83 -46.78 1 5 -1 72 436.963 7

Activity (Go SEA)

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