UCSF

ZINC40929900

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.52 13.74 -12.02 1 4 0 51 408.567 7
Hi High (pH 8-9.5) 6.71 11.36 -44.29 0 4 -1 58 407.559 7

Activity (Go SEA)

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