UCSF

ZINC36161681

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) 1.06 0.42 -44 4 4 1 66 226.296 5
Hi High (pH 8-9.5) 1.06 -0.04 -5.23 3 4 0 65 225.288 5

Activity (Go SEA)

Rings

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