UCSF

ZINC36159809

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 24 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) 1.01 5.46 -51.53 3 6 1 80 350.464 7
Hi High (pH 8-9.5) 1.47 2.66 -49.41 2 6 0 83 349.456 7
Hi High (pH 8-9.5) 1.01 3.35 -13.9 2 6 0 78 349.456 7

Activity (Go SEA)

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