UCSF

ZINC37835414

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) 2.75 9.08 -58.91 0 4 -1 60 268.377 5
Lo Low (pH 4.5-6) 2.75 7.03 -12.67 1 4 0 58 269.385 5

Activity (Go SEA)

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