UCSF

ZINC38589276

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 4.05 9.35 -53.15 3 5 1 49 371.48 5
Mid Mid (pH 6-8) 4.05 7.13 -11.93 2 5 0 48 370.472 5

Activity (Go SEA)

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