UCSF

ZINC39898235

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 36 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) 5.24 9.03 -14.62 2 8 0 97 514.022 12
Hi High (pH 8-9.5) 5.24 9.95 -40.28 1 8 -1 100 513.014 12

Activity (Go SEA)

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