UCSF

ZINC39975045

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 22 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) 2.80 6.96 -44.51 1 4 1 42 331.408 3
Mid Mid (pH 6-8) 2.80 4.81 -6.18 0 4 0 41 330.4 3

Activity (Go SEA)

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