UCSF

ZINC41836093

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 15 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) 0.10 5.42 -33.29 2 4 0 66 217.309 9
Hi High (pH 8-9.5) 0.10 4.12 -44.3 1 4 -1 61 216.301 9

Activity (Go SEA)

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