UCSF

ZINC42741032

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 0.80 7.29 -50.53 1 5 1 45 310.805 3
Hi High (pH 8-9.5) 0.80 4.9 -15.02 0 5 0 44 309.797 3

Activity (Go SEA)

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