UCSF

ZINC38610554

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 36 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) 4.67 9.52 -14.47 2 8 0 97 493.604 12
Mid Mid (pH 6-8) 4.67 10.28 -54.24 1 8 -1 100 492.596 12

Activity (Go SEA)

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