UCSF

ZINC36320062

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 19 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) -0.78 0.33 -58.04 4 5 1 83 285.389 4
Hi High (pH 8-9.5) -0.78 0.01 -9.15 3 5 0 81 284.381 4

Activity (Go SEA)

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