UCSF

ZINC55668756

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 21 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) 3.18 10.36 -43.75 1 3 1 25 287.427 4
Mid Mid (pH 6-8) 3.18 8.16 -7.36 0 3 0 24 286.419 4

Activity (Go SEA)

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