UCSF

ZINC41475130

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 2.16 7 -10.1 0 6 0 57 303.362 3
Mid Mid (pH 6-8) 2.16 7.48 -29.78 1 6 1 58 304.37 3

Activity (Go SEA)

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