UCSF

ZINC38609625

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 30 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) 5.12 8.76 -13.81 2 6 0 78 405.498 8
Mid Mid (pH 6-8) 5.12 9.53 -53.07 1 6 -1 81 404.49 8

Activity (Go SEA)

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