UCSF

ZINC34984756

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 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) 2.23 1.33 -60.45 4 6 -1 113 437.512 4
Lo Low (pH 4.5-6) 2.23 0.78 -13.13 5 6 0 110 438.52 4

Activity (Go SEA)

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