UCSF

ZINC39914954

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 32 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) 4.88 8.52 -9.98 2 6 0 78 457.933 7
Mid Mid (pH 6-8) 4.88 9.29 -46.11 1 6 -1 81 456.925 7

Activity (Go SEA)

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