UCSF

ZINC12081584

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 32 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) 4.29 10.57 -56.57 2 7 1 72 481.4 9
Hi High (pH 8-9.5) 4.29 8.08 -16.49 1 7 0 71 480.392 9

Activity (Go SEA)

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