UCSF

ZINC74884948

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2012 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) 0.66 2.66 -11.65 0 6 0 51 292.335 3
Mid Mid (pH 6-8) 0.66 5.08 -42.41 1 6 1 52 293.343 3

Activity (Go SEA)

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