UCSF

ZINC35807966

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 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) 5.48 13.46 -12.3 0 4 0 36 474.045 11
Lo Low (pH 4.5-6) 5.48 15.74 -62.68 1 4 1 38 475.053 11

Activity (Go SEA)

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