UCSF

ZINC39975031

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 21 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) 2.68 6.89 -44.57 1 4 1 42 313.418 3
Mid Mid (pH 6-8) 2.68 4.74 -7.96 0 4 0 41 312.41 3

Activity (Go SEA)

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