UCSF

ZINC36322092

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 25 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) 3.29 6.01 -50.42 3 5 1 63 352.336 5
Hi High (pH 8-9.5) 3.29 5.78 -10.99 2 5 0 62 351.328 5

Activity (Go SEA)

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