UCSF

ZINC33595783

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 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) 5.62 15.64 -17.06 1 4 0 47 498.001 8
Lo Low (pH 4.5-6) 5.62 16.1 -50.38 2 4 1 48 499.009 8

Activity (Go SEA)

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