UCSF

ZINC46811731

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2010 23 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) 2.42 6.66 -42.91 2 4 1 51 341.403 6
Hi High (pH 8-9.5) 2.42 6.27 -66.66 1 4 0 53 340.395 6

Activity (Go SEA)

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