UCSF

ZINC42449834

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.45 3.06 -45.22 3 4 1 61 211.285 3
Hi High (pH 8-9.5) 0.45 2.93 -8.2 2 4 0 59 210.277 3

Activity (Go SEA)

Rings

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