UCSF

ZINC45694824

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 1.94 7.71 -55.25 0 5 -1 70 284.376 4
Lo Low (pH 4.5-6) 1.94 5.78 -11.21 1 5 0 67 285.384 4

Activity (Go SEA)

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