UCSF

ZINC21812885

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 0.86 4.32 -59.66 4 6 1 80 311.793 3
Hi High (pH 8-9.5) 0.86 2.1 -22.03 3 6 0 79 310.785 3

Activity (Go SEA)

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