UCSF

ZINC37834905

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.20 8.73 -62.82 1 5 -1 76 289.355 3
Lo Low (pH 4.5-6) 2.20 6.72 -14.7 2 5 0 73 290.363 3

Activity (Go SEA)

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