UCSF

ZINC41952408

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 23 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) 0.29 6.41 -65.17 2 6 1 68 316.381 6
Hi High (pH 8-9.5) 0.29 4.52 -27.48 1 6 0 67 315.373 6

Activity (Go SEA)

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