UCSF

ZINC39898396

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 33 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) 5.18 9.34 -12.83 2 7 0 88 469.969 9
Hi High (pH 8-9.5) 5.18 10.31 -38.04 1 7 -1 91 468.961 9

Activity (Go SEA)

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