UCSF

ZINC38610279

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 31 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) 4.93 10.48 -15.66 2 5 0 69 433.87 4
Mid Mid (pH 6-8) 4.93 11.25 -54.95 1 5 -1 72 432.862 4

Activity (Go SEA)

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