UCSF

ZINC60476673

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 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) 2.69 8.2 -10.08 1 3 0 32 282.387 6
Mid Mid (pH 6-8) 2.69 9.56 -44.91 2 3 1 37 283.395 6

Activity (Go SEA)

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