UCSF

ZINC34984431

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 22 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) 2.81 12.22 -140.23 0 4 -2 80 294.306 6
Lo Low (pH 4.5-6) 2.81 10.21 -52.72 1 4 -1 77 295.314 6

Activity (Go SEA)

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