UCSF

ZINC37792356

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.80 6.96 -57.66 1 5 -1 78 284.376 10
Lo Low (pH 4.5-6) 1.80 5.12 -11.22 2 5 0 76 285.384 10

Activity (Go SEA)

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