UCSF

ZINC36236906

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 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) 3.11 9.53 -10.92 0 4 0 41 372.415 5
Mid Mid (pH 6-8) 3.11 11.46 -47.7 1 4 1 42 373.423 5

Activity (Go SEA)

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