UCSF

ZINC37792358

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) 1.89 7.17 -56.55 1 5 -1 78 284.376 11
Lo Low (pH 4.5-6) 1.89 4.63 -6.86 2 5 0 76 285.384 11

Activity (Go SEA)

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