UCSF

ZINC37835062

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.44 4.54 -54.07 1 7 -1 99 283.304 5
Lo Low (pH 4.5-6) 2.44 2.56 -14.73 2 7 0 96 284.312 5

Activity (Go SEA)

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