UCSF

ZINC35315078

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 29 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) 2.12 8.28 -20.19 2 7 0 89 385.427 4
Lo Low (pH 4.5-6) 2.12 8.73 -40.85 3 7 1 90 386.435 4

Activity (Go SEA)

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