UCSF

ZINC37823651

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.53 2.75 -41.75 2 5 1 43 283.44 5
Hi High (pH 8-9.5) 0.53 1.39 -7.42 1 5 0 39 282.432 5
Mid Mid (pH 6-8) 0.53 4.97 -91.42 3 5 2 45 284.448 5

Activity (Go SEA)

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