UCSF

ZINC39913989

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 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) 5.24 7.54 -16.15 3 8 0 108 514.022 11
Mid Mid (pH 6-8) 5.24 8.31 -53.11 2 8 -1 111 513.014 11

Activity (Go SEA)

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