UCSF

ZINC69273906

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2011 21 No

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) 3.31 6.19 -4.68 2 4 0 58 327.211 4
Hi High (pH 8-9.5) 3.49 5.38 -39.4 1 4 -1 65 326.203 4

Activity (Go SEA)

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