UCSF

ZINC39897986

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 30 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) 3.44 4.51 -12.98 3 7 0 99 425.872 7
Mid Mid (pH 6-8) 3.44 5.27 -49.71 2 7 -1 102 424.864 7

Activity (Go SEA)

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