UCSF

ZINC21141114

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 28 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) 4.00 7.92 -15.35 2 6 0 80 396.516 8
Mid Mid (pH 6-8) 4.00 8.75 -52.7 1 6 -1 83 395.508 8

Activity (Go SEA)

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