UCSF

ZINC52220529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 25 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) 1.99 9.83 -51.76 1 5 1 45 385.315 5
Hi High (pH 8-9.5) 1.99 7.78 -12.24 0 5 0 44 384.307 5

Activity (Go SEA)

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