UCSF

ZINC43232336

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 0.66 5.12 -111.16 4 5 2 53 283.464 8
Hi High (pH 8-9.5) 0.66 2.56 -44.22 3 5 1 52 282.456 8

Activity (Go SEA)

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