UCSF

ZINC62145383

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 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) 2.15 6.62 -43.51 2 4 1 43 301.357 9
Hi High (pH 8-9.5) 2.15 4.41 -10.35 1 4 0 42 300.349 9

Activity (Go SEA)

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