UCSF

ZINC35910300

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 30 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) 5.58 11.19 -12.89 1 4 0 55 463.428 7
Hi High (pH 8-9.5) 5.65 9.52 -41.24 0 4 -1 61 462.42 7

Activity (Go SEA)

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