UCSF

ZINC24943322

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 27 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) 3.25 10.14 -17.37 1 6 0 75 385.851 6
Hi High (pH 8-9.5) 3.70 8.25 -51.81 0 6 -1 78 384.843 6

Activity (Go SEA)

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