UCSF

ZINC36106868

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 1.74 3.98 -6.66 1 5 0 53 283.416 6
Mid Mid (pH 6-8) 1.74 6.4 -45.42 2 5 1 54 284.424 6

Activity (Go SEA)

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