UCSF

ZINC37835824

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) 1.34 6.53 -49.85 1 5 -1 81 280.344 5
Lo Low (pH 4.5-6) 1.34 3.78 -9.28 2 5 0 78 281.352 5

Activity (Go SEA)

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