UCSF

ZINC37827033

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.91 4.12 -38.9 2 4 1 40 240.371 5
Hi High (pH 8-9.5) 0.91 2.93 -6.94 1 4 0 36 239.363 5
Mid Mid (pH 6-8) 0.91 6.49 -93.22 3 4 2 41 241.379 5

Activity (Go SEA)

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