UCSF

ZINC37834545

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.03 7.99 -66.72 0 6 -1 87 270.305 6
Lo Low (pH 4.5-6) 1.03 6 -17.63 1 6 0 84 271.313 6

Activity (Go SEA)

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