UCSF

ZINC35311507

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 2.42 4.78 -51.13 3 6 1 73 329.376 7
Hi High (pH 8-9.5) 2.42 3.43 -12.78 2 6 0 69 328.368 7

Activity (Go SEA)

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